Compounds > butylated hydroxytoluene
Page last updated: 2024-12-06

butylated hydroxytoluene

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Occurs in Manufacturing Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

Butylated hydroxytoluene (BHT) is a synthetic antioxidant, commonly used as a food additive to prevent rancidity. It is synthesized by reacting p-cresol with isobutylene in the presence of a catalyst. BHT has been shown to exhibit antioxidant effects by scavenging free radicals, thus preventing oxidative damage to cells and molecules. It is used extensively in food products, cosmetics, and pharmaceuticals to extend shelf life and prevent spoilage. BHT is also studied for its potential therapeutic effects, including anti-inflammatory, anti-cancer, and neuroprotective properties. However, concerns exist about its potential endocrine disrupting effects and its impact on human health, prompting ongoing research into its long-term safety.'

2,6-di-tert-butyl-4-methylphenol : A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID31404
CHEMBL ID146
CHEBI ID34247
SCHEMBL ID3950
MeSH IDM0003105

Synonyms (316)

Synonym
BIDD:ER0031
bdbm50079507
BRD-K53153417-001-01-3
ionol
di-tert-butyl-p-methylphenol
2,6-di-tert-butyl-4-methylphenol
sumilizer bht
vanlube pc
antioxidant dbpc
4-hydroxy-3,5-di-tert-butyltoluene
ional
butyl hydroxy toluene
impruvol
2,6-di-tert-butyl-p-methylphenol
topanol
stavox
2,6-di-tert-butyl-4-cresol
phenol,6-bis(1,1-dimethylethyl)-4-methyl-
3,5-di-tert-butyl-4-hydroxytoluene
dalpac
deenax
p-cresol,6-di-tert-butyl-
BHT ,
butylhydroxytoluene
ionol (antioxidant)
ionol 1
1-hydroxy-4-methyl-2,6-di-tert-butylbenzene
2,6-di-tert-butyl-1-hydroxy-4-methylbenzene
dbpc
advastab 401
catalin cao-3
tenamene 3
vanlube pcx
catalin antioxydant 1
antioxidant 30
4-methyl-2,6-tert-butylphenol
dbpc(technical grade)
ao 29
chemanox 11
vianol
antioxidant 29
128-37-0
dibutyl-para-cresol
cao 1
ao 4k
ionol cp
topanol oc
nsc-6347
cao 3
ionole
4-methyl-2,6-di-terc. butylfenol
4-methyl-2,6-di-tert-butylphenol
2,6-di-tert-butyl-p-cresol
2,6-di-terc.butyl-p-kresol
topanol o
o-di-tert-butyl-p-methylphenol
antioxidant kb
2,1-dimethylethyl)-4-methylphenol
parabar 441
paranox 441
wln: 1x1 & 1 & r bq e1 cx1 & 1 & 1
2, food grade
sustane bht
dibunol
2,6-di-tert-butylcresol
tenox bht
nsc6347
nci-c03598
methyldi-tert-butylphenol
antioxidant 4k
nonox tbc
buks
di-tert-butyl-p-cresol
bht(food grade)
bht, food grade
di-tert-butylcresol
p 21
DIVK1C_006864
CHEBI:34247 ,
MLS000069425
smr000059076
MLS-0146297.0001
2,6-di-(tert-butyl)-4-methylphenol
2,6-ditert-butyl-4-methyl-phenol
alkofen bp
nocrac 200
tonarol
butylohydroksytoluenu [polish]
2,6-di-tert-butyl-4-hydroxytoluene
einecs 204-881-4
aox 4
p-cresol, 2,6-di-tert-butyl-
2,6-di-tert-butyl-4-methylhydroxybenzene
aox 4k
swanox bht
toxolan p
SPECTRUM_001790
antox qt
4-methyl-2,6-di-t-butyl-phenol
2,6-di-terc.butyl-p-kresol [czech]
antioxidant 4
ccris 103
agidol
kerabit
fema no. 2184
agidol 1
di-tert-butyl-p-cresol (van)
antrancine 8
dbpc (technical grade)
2,6-di-t-butyl-p-cresol
caswell no. 291a
epa pesticide chemical code 022105
antioxidant mpj
hsdb 1147
annulex bht
antioxidant t 501
nsc 6347
4-methyl-2,6-di-terc. butylfenol [czech]
tenamen 3
ai3-19683
vulkanox kb
bht 264
bht (food grade)
antioxidant 264
PK04_181024
dibutylhydroxytoluene
BSPBIO_003238
SPECTRUM5_001612
inchi=1/c15h24o/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16h,1-7h
benzene,1,3-ditert.butyl,2-hydroxy,5-methyl
phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
2,6-di-t-butyl-4-methylphenol
NCGC00091761-01
2,6-bis(1,1-dimethylethyl)-4-methylphenol
3,5-di-tert-4-butylhydroxytoluene (bht), analytical standard
D02413
NCGC00091761-03
NCGC00091761-02
KBIO2_007416
KBIO2_002280
KBIO3_002738
KBIO1_001808
KBIOSS_002281
KBIO2_004848
SPECPLUS_000768
SPECTRUM3_001849
SPECTRUM1600716
NCGC00091761-04
2,6 di tert butyl p cresol
2,6 di t butyl 4 methylphenol
di-tert-butyl-methylphenol
di tert butyl methylphenol
2,6 di tert butyl 4 methylphenol
2,6-di-tert-butyl-4-methylphenol, >=99.0% (gc), powder
9FC4DFC8-480D-487C-A74A-2EC9EECE92C4
HMS2091E21
AC-10553
D0228
ins-321
CHEMBL146 ,
butylhydroxytoluenum
e321
2,6-ditertiary-butyl-p-cresol
e-321
ins no.321
AKOS000269037
AC-907/25014329
2,6-ditert-butyl-4-methylphenol
NCGC00091761-06
NCGC00091761-05
phenol, 3,5-bis(1,1-dimethylethyl)-4-methyl-
dtxcid20216
cas-128-37-0
tox21_303408
dtxsid2020216 ,
NCGC00257275-01
tox21_201093
NCGC00258645-01
tox21_113537
nsc759563
nsc-759563
pharmakon1600-01600716
HMS2231M22
2,6-bis(tert-butyl)-4-methylphenol
STL277184
unii-1p9d0z171k
1p9d0z171k ,
ec 204-881-4
ionol cp-antioxidant
butylohydroksytoluenu
FT-0610731
2,6-di-tert-butyl-p-cresol2,6-bis(1,1-dimethylethyl)-4-methyl-phenol
butylhydroxytoluenum [who-ip latin]
butylhydroxytoluene [ep monograph]
bht [fcc]
4-methyl-2,6-ditertiary-butyl-phenol
bht [inci]
S6202
HMS3369G17
CCG-207937
SCHEMBL3950
NCGC00091761-07
tox21_113537_1
2,6-di-t butyl-4-methylphenol
2.6-di-tert-butyl-4-methylphenol
2,6-di-tert-butyl4-methylphenol
2,6-di-t-butyl-4-methyl phenol
2,6-di-tert-butyl-4-methyl-phenol
2,6-di-t- butyl-4-methylphenol
2.6-di-t-butyl-4-methylphenol
2,6-di-tert-butyl-paracresol
2,6-bis-tert-butyl-p-cresol
2,6-ditert.butyl-4-methylphenol
2,6-di-tert. butyl-p-cresol
2,6-di-tert-butyl-4methylphenol
2,6-di-tert-butyl-para-cresol
2,6-di-tert.butyl-4-methylphenol
2,6-di-tert.-butyl4-methylphenol
2,6-di-t-butyl-4-methyl-phenol
2.6-di-t-butyl-p-cresol
2,6-di-tert-butyl4-methyl phenol
2.6-di- t-butyl- 4-methylphenol
2,6-ditertbutyl-4-methylphenol
2,6-di-tert.-butyl-p-cresol
2,6-di-tert.-butyl-4-methylphenol
2,6-di-t-butyl 4-methyl phenol
2,6-di-tertbutyl-4-methylphenol
2,6-di(t-butyl)-4-methylphenol
2,6-di-tert. butyl-4-methyl phenol
2,6-di(tert-butyl)-4-methylphenol
2,6 -di-tert-butyl-4-methylphenol
2,6-ditert-butyl-p-cresol
2,6-di-tert-butyl-4-methyl phenol
3,5-di-t-butyl-4-hydroxytoluene
4-methyl-2,6-di-tert.butylphenol
2,6-di-tert-butyl-4 methylphenol
2,6-ditert.-butyl-4-methylphenol
2,6-di-tert-butyl 4-methylphenol
2,6-di-tert.butyl-p-cresol
2,6-ditertiarybutyl-4-methylphenol
2,6-di-tert-butyl-para-methylphenol
2,6-di-tert-butyl-p-cresol (bht)
2,6-di(tert-butyl)hydroxytoluene
2,6-di-butyl-para-cresol
phenol, 2,6-di-tert-butyl-4-methyl-
ionol bht
di-tert-butylparamethylphenol
2,6-di-ter-butyl-4-methyl-phenol
2,6-di-tert-butyl-methylphenol
bht swanox
nipanox bht
2,6-di-tert-butyl-1-hydroxy-4-methyl benzene
ralox bht
lowinox bht
hydagen deo (salt/mix)
di-tert-butyl-4-methylphenol
STR04334
CS-W020053
1219805-92-1
2,6-di-tert-butyl-4-methylphenol-d24
W-108376
AB00053233_09
mfcd00011644
2,6-di-tert-butyl-4-methylphenol, certified reference material, tracecert(r)
butylhydroxytoluene, european pharmacopoeia (ep) reference standard
F0001-0395
bht fcc/nf
SR-01000735918-2
sr-01000735918
2,6-di-tert-butyl-4-methylphenol, tested according to ph.eur.
2,6-di-tert-butyl-4-methylphenol, saj first grade, >=99.0%
2,6-di-tert-butyl-4-methylphenol, purum, >=99.0% (gc)
2,6-di-tert-butyl-4-methylphenol, >=99%
2,6-di-tert-butyl-4-methylphenol, 99%
D77866
2,6-di-tert-butyl-4-methylphenol, puriss., 99%
popol
2,6-bis(1,1-dimethylethyl)-4-methylphenol, 9ci
2,6-di-tert-butyl-p-cresol, 8ci
fema 2184
2,6-bis-(1,1-dimethylethyl)-4-methylphenol
SBI-0052890.P002
2,6-di(tert-butyl-d9)-4-methylphenol-3,5,o-d3
Q221945
2,6-di-tert-butyl-4-methylphenol 1000 microg/ml in acetonitrile
BRD-K53153417-001-06-2
EN300-52982
AMY40200
HMS3750M21
4-methyl-2,6- di(1,1-dimethylethyl)phenol
2,6-di-tert-butyl-4-methylenol
HY-Y0172
A937188
3im ,
butylhydroxytoluene (ep monograph)
vanox pc
permanax bht
ultranox 226
topanol ol
lubrizol 817
topanol bht
catalin cao 3
ionol k
bht1506
t 501 (phenol)
4-hydroxy-3,5-di-t-butyl-toluene
yoshinox bht
naugard bht
ionol 330
2,6-tert-butyl-4-methylphenol
t 501
2,6-di-tert-butylmethylphenol
p 21 (phenol)
antage bht
18 - anti-oxidants in copra oil
Z764922868

Research Excerpts

Overview

Butylated hydroxytoluene (BHT) is a most commonly used antioxidant recognized as safe for use in foods containing fats, pharmaceuticals, petroleum products, rubber and oil industries.

ExcerptReferenceRelevance
"Butylated hydroxytoluene (BHT) is a most commonly used antioxidant recognized as safe for use in foods containing fats, pharmaceuticals, petroleum products, rubber and oil industries."( Understanding the chemistry behind the antioxidant activities of butylated hydroxytoluene (BHT): a review.
Abd Hamid, SB; Alhadi, AA; Ariffin, A; Kadir, FA; Rahman, NA; Yaeghoobi, M; Yehye, WA, 2015)		1.38

Toxicity

ExcerptReferenceRelevance
" The dose levels of BHT in this study showed little adverse effect on reproductive and neurobehavioural parameters on mice."( Three generation toxicity study of butylated hydroxytoluene administered to mice.
Oishi, S; Takahashi, O; Tanaka, T, 1993)		0.56
" An understanding of structure-activity relationships (SARs) of chemicals can make a significant contribution to the identification of potential toxic effects early in the drug development process and aid in avoiding such problems."( Developing structure-activity relationships for the prediction of hepatotoxicity.
Fisk, L; Greene, N; Naven, RT; Note, RR; Patel, ML; Pelletier, DJ, 2010)		0.36

Bioavailability

ExcerptReferenceRelevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)		0.51
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Occurs in Manufacturing (29 Product(s))

Product Categories

Product CategoryProducts
Snacks, Sweet snacks, Confectioneries1
Other5
Viandes et dérivés, Plats préparés, Plats préparés à la viande, Plats au bœuf, Moussaka1
Dairies, Fermented foods, Fermented milk products, Cheeses, Meat alternatives, Cypriot cheeses, Grilling cheeses, Halloumi1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Céréales et pommes de terre, Surgelés, Pains, Produits artisanaux, Gressins, Gressins artisanaux1
Aliments et boissons à base de végétaux, Boissons, Boissons à base de végétaux, Boissons aux fruits, Jus et nectars1
Beauty & Personal Care19

Products

ProductBrandCategoryCompounds Matched from IngredientsDate Retrieved
Big crunch chocolate candy barSnacks, Sweet snacks, Confectioneriespotassium bicarbonate2024-02-12
Aveeno Positively Radiant Daily Moisturizer -- 4 fl ozAveenoBeauty & Personal CareBHT, Cetearyl Alcohol, Behenyl Alcohol, Disodium EDTA, Glycerin, Dimethicone, Sodium Hydroxide2024-11-29 10:47:42
Babe Original Glow Plumping Lip Jelly Blush -- 0.14 ozBabe OriginalBeauty & Personal Carealuminum oxide, BHT, methoxypropanediol, palmitic acid, palmitic acid2024-11-29 10:47:42
Babe Original Glow Plumping Lip Jelly Clear -- 0.14 ozBabe OriginalBeauty & Personal Carealuminum oxide, BHT, methoxypropanediol, palmitic acid, palmitic acid2024-11-29 10:47:42
Babe Original Glow Plumping Lip Jelly Mauve -- 0.14 ozBabe OriginalBeauty & Personal Carealuminum oxide, BHT, methoxypropanediol, palmitic acid, palmitic acid2024-11-29 10:47:42
Babe Original Glow Plumping Lip Jelly Red -- 0.14 ozBabe OriginalBeauty & Personal Carealuminum oxide, BHT, methoxypropanediol, palmitic acid, palmitic acid2024-11-29 10:47:42
CeraVe Facial Moisturizing Lotion AM with Sunscreen Broad Spectrum SPF 30 -- 3 fl ozCeraVeBeauty & Personal Carebht, carbomer, ceramide NP, cetearyl alcohol, disodium EDTA, glycerin, dimethicone, hydroxyethylcellulose, methylparaben, niacinamide, triethoxycaprylylsilane, phytosphingosine, propylparaben2024-11-29 10:47:42
Love Beauty and Planet Soothe & Serene Argan Oil & Lavender Hand Lotion -- 1 fl ozLove Beauty and PlanetBeauty & Personal CareCaprylyl Glycol, BHT, Carbomer, Citronellol, Coumarin, Coumarin, Disodium EDTA, Hydroxycitronellal, Hydroxyethylcellulose, Limonene, Linalool, Phenoxyethanol, Triethanolamine2024-11-29 10:47:42
Sun Bum Original Face 50 Suncreen Lotion SPF 50 Fragrance Free -- 3 fl ozSun BumBeauty & Personal Caretocopherol acetate, BHT, behenyl alcohol, disodium EDTA, ethylhexylglycerin, glyceryl stearate, dimethicone2024-11-29 10:47:42
Sun Bum Original Lotion SPF 70 -- 6 fl ozSun BumBeauty & Personal Caremethylisothiazolinone, BHT, disodium edta, ethylhexylglycerin, glyceryl stearate, dimethicone2024-11-29 10:47:42
Sun Bum Original SPF 30 Sunscreen Lip Balm Assorted Fruit -- 0.15 oz Each / 3 PackSun BumBeauty & Personal Careascorbic acid, bht, cetyl alcohol, cyclopentasiloxane, dimethicone, propylene glycol, retinyl palmitate2024-11-29 10:47:42
Sun Bum Original SPF 30 Sunscreen Lotion -- 3 fl ozSun BumBeauty & Personal Carebht, behenyl alcohol, disodium edta, ethylhexylglycerin, glyceryl stearate, dimethicone2024-11-29 10:47:42
Sun Bum Original SPF 50 Sunscreen Lotion -- 3 fl ozSun BumBeauty & Personal Carebht, behenyl alcohol, disodium edta, ethylhexylglycerin, glyceryl stearate, dimethicone2024-11-29 10:47:42
Sun Bum Original SPF 70 Sunscreen Lotion -- 3 fl ozSun BumBeauty & Personal Caremethylisothiazolinone, bht, disodium edta, ethylhexylglycerin, glyceryl stearate, dimethicone2024-11-29 10:47:42
Sun Bum Original Sunscreen Lotion SPF 30 -- 6 fl ozSun BumBeauty & Personal CareBHT, behenyl alcohol, disodium EDTA, ethylhexylglycerin, glyceryl stearate, dimethicone2024-11-29 10:47:42
Sun Bum Original Sunscreen Lotion SPF 50 -- 6 fl ozSun BumBeauty & Personal CareBHT, behenyl alcohol, disodium EDTA, ethylhexylglycerin, glyceryl stearate, dimethicone2024-11-29 10:47:42
Sun Bum Premium Sunscreen Face Stick SPF 30 -- 0.45 ozSun BumBeauty & Personal CareBHT, cetyl alcohol, paraffin, ozokerite2024-11-29 10:47:42
Vanicream Moisturizing Cream For Sensitive Skin Travel Tube -- 2 fl ozVanicreamBeauty & Personal CareBHT, cetearyl alcohol, glyceryl stearate, propylene glycol, simethicone, sorbic acid, sorbitol2024-11-29 10:47:42
Vitabath Body Cream Cucumber & White Tea -- 8 ozVitabathBeauty & Personal Careascorbic acid, BHT, cetyl alcohol, tocopherol, panthenol, diazolidinyl urea, disodium EDTA, tocopherol, glycerin, dimethicone, niacinamide, PEG-150 stearate, retinyl palmitate, stearic acid, triethanolamine2024-11-29 10:47:42
Vitabath Body Cream Lavender Chamomile -- 8 fl ozVitabathBeauty & Personal Careascorbic acid, BHT, cetyl alcohol, tocopherol, panthenol, diazolidinyl urea, disodium EDTA, tocopherol, glycerin, dimethicone, niacinamide, PEG-150 stearate, retinyl palmitate, stearic acid, triethanolamine2024-11-29 10:47:42

Roles (4)

RoleDescription
antioxidantA substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
food additiveAny substance which is added to food to preserve or enhance its flavour and/or appearance.
ferroptosis inhibitorAny substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
geroprotectorAny compound that supports healthy aging, slows the biological aging process, or extends lifespan.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (1)

ClassDescription
phenolsOrganic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (34)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
interleukin 8Homo sapiens (human)Potency74.97800.047349.480674.9780AID651758
thioredoxin reductaseRattus norvegicus (Norway rat)Potency35.48130.100020.879379.4328AID588453
RAR-related orphan receptor gammaMus musculus (house mouse)Potency21.73410.006038.004119,952.5996AID1159521
TDP1 proteinHomo sapiens (human)Potency19.46220.000811.382244.6684AID686978; AID686979
AR proteinHomo sapiens (human)Potency60.24030.000221.22318,912.5098AID1259243; AID1259247
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency28.18380.011212.4002100.0000AID1030
nuclear receptor subfamily 1, group I, member 3Homo sapiens (human)Potency30.87610.001022.650876.6163AID1224839
glucocorticoid receptor [Homo sapiens]Homo sapiens (human)Potency24.54420.000214.376460.0339AID720691
retinoid X nuclear receptor alphaHomo sapiens (human)Potency19.25040.000817.505159.3239AID1159527; AID1159531; AID588544
farnesoid X nuclear receptorHomo sapiens (human)Potency34.52830.375827.485161.6524AID588526; AID743217
pregnane X nuclear receptorHomo sapiens (human)Potency70.79460.005428.02631,258.9301AID720659
estrogen nuclear receptor alphaHomo sapiens (human)Potency31.51760.000229.305416,493.5996AID743080; AID743091
peroxisome proliferator-activated receptor deltaHomo sapiens (human)Potency4.91040.001024.504861.6448AID743215
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_aHomo sapiens (human)Potency56.00310.001723.839378.1014AID743083
thyroid stimulating hormone receptorHomo sapiens (human)Potency26.65500.001628.015177.1139AID1224895
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 (p105), isoform CRA_aHomo sapiens (human)Potency50.101119.739145.978464.9432AID1159509
v-jun sarcoma virus 17 oncogene homolog (avian)Homo sapiens (human)Potency32.69940.057821.109761.2679AID1159526; AID1159528
Histone H2A.xCricetulus griseus (Chinese hamster)Potency85.14040.039147.5451146.8240AID1224845; AID1224896
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency70.79460.354828.065989.1251AID504847
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency125.89203.548119.542744.6684AID743266
potassium voltage-gated channel subfamily H member 2 isoform dHomo sapiens (human)Potency11.22020.01789.637444.6684AID588834
thyroid hormone receptor beta isoform 2Rattus norvegicus (Norway rat)Potency49.54370.000323.4451159.6830AID743065; AID743067
heat shock protein beta-1Homo sapiens (human)Potency49.10400.042027.378961.6448AID743210
DNA polymerase betaHomo sapiens (human)Potency2.51190.022421.010289.1251AID485314
nuclear factor NF-kappa-B p105 subunit isoform 1Homo sapiens (human)Potency39.81074.466824.832944.6684AID651749
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency26.67950.168316.404067.0158AID720504
nuclear factor erythroid 2-related factor 2 isoform 1Homo sapiens (human)Potency28.42680.000627.21521,122.0200AID720636; AID743202
gemininHomo sapiens (human)Potency0.18360.004611.374133.4983AID624297
VprHuman immunodeficiency virus 1Potency12.58931.584919.626463.0957AID651644
survival motor neuron protein isoform dHomo sapiens (human)Potency0.70790.125912.234435.4813AID1458
Cellular tumor antigen p53Homo sapiens (human)Potency47.37320.002319.595674.0614AID651631
Peroxisome proliferator-activated receptor alphaHomo sapiens (human)Potency39.81070.015823.527344.6684AID651778
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Carbonic anhydrase 1Homo sapiens (human)Ki245.20000.00001.372610.0000AID416125
Carbonic anhydrase 2Homo sapiens (human)Ki0.63000.00000.72369.9200AID416126
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (182)

Processvia Protein(s)Taxonomy
one-carbon metabolic processCarbonic anhydrase 1Homo sapiens (human)
morphogenesis of an epitheliumCarbonic anhydrase 2Homo sapiens (human)
positive regulation of synaptic transmission, GABAergicCarbonic anhydrase 2Homo sapiens (human)
positive regulation of cellular pH reductionCarbonic anhydrase 2Homo sapiens (human)
angiotensin-activated signaling pathwayCarbonic anhydrase 2Homo sapiens (human)
regulation of monoatomic anion transportCarbonic anhydrase 2Homo sapiens (human)
secretionCarbonic anhydrase 2Homo sapiens (human)
regulation of intracellular pHCarbonic anhydrase 2Homo sapiens (human)
neuron cellular homeostasisCarbonic anhydrase 2Homo sapiens (human)
positive regulation of dipeptide transmembrane transportCarbonic anhydrase 2Homo sapiens (human)
regulation of chloride transportCarbonic anhydrase 2Homo sapiens (human)
carbon dioxide transportCarbonic anhydrase 2Homo sapiens (human)
one-carbon metabolic processCarbonic anhydrase 2Homo sapiens (human)
negative regulation of cell population proliferationCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycleCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycle G2/M phase transitionCellular tumor antigen p53Homo sapiens (human)
DNA damage responseCellular tumor antigen p53Homo sapiens (human)
ER overload responseCellular tumor antigen p53Homo sapiens (human)
cellular response to glucose starvationCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
positive regulation of miRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
negative regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
mitophagyCellular tumor antigen p53Homo sapiens (human)
in utero embryonic developmentCellular tumor antigen p53Homo sapiens (human)
somitogenesisCellular tumor antigen p53Homo sapiens (human)
release of cytochrome c from mitochondriaCellular tumor antigen p53Homo sapiens (human)
hematopoietic progenitor cell differentiationCellular tumor antigen p53Homo sapiens (human)
T cell proliferation involved in immune responseCellular tumor antigen p53Homo sapiens (human)
B cell lineage commitmentCellular tumor antigen p53Homo sapiens (human)
T cell lineage commitmentCellular tumor antigen p53Homo sapiens (human)
response to ischemiaCellular tumor antigen p53Homo sapiens (human)
nucleotide-excision repairCellular tumor antigen p53Homo sapiens (human)
double-strand break repairCellular tumor antigen p53Homo sapiens (human)
regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
protein import into nucleusCellular tumor antigen p53Homo sapiens (human)
autophagyCellular tumor antigen p53Homo sapiens (human)
DNA damage responseCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrestCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediatorCellular tumor antigen p53Homo sapiens (human)
transforming growth factor beta receptor signaling pathwayCellular tumor antigen p53Homo sapiens (human)
Ras protein signal transductionCellular tumor antigen p53Homo sapiens (human)
gastrulationCellular tumor antigen p53Homo sapiens (human)
neuroblast proliferationCellular tumor antigen p53Homo sapiens (human)
negative regulation of neuroblast proliferationCellular tumor antigen p53Homo sapiens (human)
protein localizationCellular tumor antigen p53Homo sapiens (human)
negative regulation of DNA replicationCellular tumor antigen p53Homo sapiens (human)
negative regulation of cell population proliferationCellular tumor antigen p53Homo sapiens (human)
determination of adult lifespanCellular tumor antigen p53Homo sapiens (human)
mRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
rRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
response to salt stressCellular tumor antigen p53Homo sapiens (human)
response to inorganic substanceCellular tumor antigen p53Homo sapiens (human)
response to X-rayCellular tumor antigen p53Homo sapiens (human)
response to gamma radiationCellular tumor antigen p53Homo sapiens (human)
positive regulation of gene expressionCellular tumor antigen p53Homo sapiens (human)
cardiac muscle cell apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of cardiac muscle cell apoptotic processCellular tumor antigen p53Homo sapiens (human)
glial cell proliferationCellular tumor antigen p53Homo sapiens (human)
viral processCellular tumor antigen p53Homo sapiens (human)
glucose catabolic process to lactate via pyruvateCellular tumor antigen p53Homo sapiens (human)
cerebellum developmentCellular tumor antigen p53Homo sapiens (human)
negative regulation of cell growthCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathwayCellular tumor antigen p53Homo sapiens (human)
mitotic G1 DNA damage checkpoint signalingCellular tumor antigen p53Homo sapiens (human)
negative regulation of telomere maintenance via telomeraseCellular tumor antigen p53Homo sapiens (human)
T cell differentiation in thymusCellular tumor antigen p53Homo sapiens (human)
tumor necrosis factor-mediated signaling pathwayCellular tumor antigen p53Homo sapiens (human)
regulation of tissue remodelingCellular tumor antigen p53Homo sapiens (human)
cellular response to UVCellular tumor antigen p53Homo sapiens (human)
multicellular organism growthCellular tumor antigen p53Homo sapiens (human)
positive regulation of mitochondrial membrane permeabilityCellular tumor antigen p53Homo sapiens (human)
cellular response to glucose starvationCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
entrainment of circadian clock by photoperiodCellular tumor antigen p53Homo sapiens (human)
mitochondrial DNA repairCellular tumor antigen p53Homo sapiens (human)
regulation of DNA damage response, signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of neuron apoptotic processCellular tumor antigen p53Homo sapiens (human)
transcription initiation-coupled chromatin remodelingCellular tumor antigen p53Homo sapiens (human)
negative regulation of proteolysisCellular tumor antigen p53Homo sapiens (human)
negative regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
positive regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
positive regulation of RNA polymerase II transcription preinitiation complex assemblyCellular tumor antigen p53Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
response to antibioticCellular tumor antigen p53Homo sapiens (human)
fibroblast proliferationCellular tumor antigen p53Homo sapiens (human)
negative regulation of fibroblast proliferationCellular tumor antigen p53Homo sapiens (human)
circadian behaviorCellular tumor antigen p53Homo sapiens (human)
bone marrow developmentCellular tumor antigen p53Homo sapiens (human)
embryonic organ developmentCellular tumor antigen p53Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylationCellular tumor antigen p53Homo sapiens (human)
protein stabilizationCellular tumor antigen p53Homo sapiens (human)
negative regulation of helicase activityCellular tumor antigen p53Homo sapiens (human)
protein tetramerizationCellular tumor antigen p53Homo sapiens (human)
chromosome organizationCellular tumor antigen p53Homo sapiens (human)
neuron apoptotic processCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycleCellular tumor antigen p53Homo sapiens (human)
hematopoietic stem cell differentiationCellular tumor antigen p53Homo sapiens (human)
negative regulation of glial cell proliferationCellular tumor antigen p53Homo sapiens (human)
type II interferon-mediated signaling pathwayCellular tumor antigen p53Homo sapiens (human)
cardiac septum morphogenesisCellular tumor antigen p53Homo sapiens (human)
positive regulation of programmed necrotic cell deathCellular tumor antigen p53Homo sapiens (human)
protein-containing complex assemblyCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stressCellular tumor antigen p53Homo sapiens (human)
thymocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of thymocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
necroptotic processCellular tumor antigen p53Homo sapiens (human)
cellular response to hypoxiaCellular tumor antigen p53Homo sapiens (human)
cellular response to xenobiotic stimulusCellular tumor antigen p53Homo sapiens (human)
cellular response to ionizing radiationCellular tumor antigen p53Homo sapiens (human)
cellular response to gamma radiationCellular tumor antigen p53Homo sapiens (human)
cellular response to UV-CCellular tumor antigen p53Homo sapiens (human)
stem cell proliferationCellular tumor antigen p53Homo sapiens (human)
signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
cellular response to actinomycin DCellular tumor antigen p53Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondriaCellular tumor antigen p53Homo sapiens (human)
cellular senescenceCellular tumor antigen p53Homo sapiens (human)
replicative senescenceCellular tumor antigen p53Homo sapiens (human)
oxidative stress-induced premature senescenceCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathwayCellular tumor antigen p53Homo sapiens (human)
oligodendrocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of execution phase of apoptosisCellular tumor antigen p53Homo sapiens (human)
negative regulation of mitophagyCellular tumor antigen p53Homo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic processCellular tumor antigen p53Homo sapiens (human)
regulation of intrinsic apoptotic signaling pathway by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of miRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
negative regulation of G1 to G0 transitionCellular tumor antigen p53Homo sapiens (human)
negative regulation of miRNA processingCellular tumor antigen p53Homo sapiens (human)
negative regulation of glucose catabolic process to lactate via pyruvateCellular tumor antigen p53Homo sapiens (human)
negative regulation of pentose-phosphate shuntCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hypoxiaCellular tumor antigen p53Homo sapiens (human)
regulation of fibroblast apoptotic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of stem cell proliferationCellular tumor antigen p53Homo sapiens (human)
positive regulation of cellular senescenceCellular tumor antigen p53Homo sapiens (human)
positive regulation of intrinsic apoptotic signaling pathwayCellular tumor antigen p53Homo sapiens (human)
negative regulation of cytokine production involved in inflammatory responsePeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of reactive oxygen species biosynthetic processPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of hepatocyte apoptotic processPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of signaling receptor activityPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
positive regulation of ATP biosynthetic processPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathwayPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of phosphatidylinositol 3-kinase/protein kinase B signal transductionPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
positive regulation of transformation of host cell by virusPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of transcription by RNA polymerase IIPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
response to hypoxiaPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
gluconeogenesisPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
heart developmentPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
response to nutrientPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
epidermis developmentPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
cellular response to starvationPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
regulation of cellular ketone metabolic processPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of macrophage derived foam cell differentiationPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of cholesterol storagePeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of sequestering of triglyceridePeroxisome proliferator-activated receptor alphaHomo sapiens (human)
regulation of fatty acid metabolic processPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
intracellular receptor signaling pathwayPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
positive regulation of fatty acid beta-oxidationPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of appetitePeroxisome proliferator-activated receptor alphaHomo sapiens (human)
response to insulinPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
circadian regulation of gene expressionPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
behavioral response to nicotinePeroxisome proliferator-activated receptor alphaHomo sapiens (human)
wound healingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
lipoprotein metabolic processPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
regulation of circadian rhythmPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
steroid hormone mediated signaling pathwayPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
response to ethanolPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
positive regulation of gluconeogenesisPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of blood pressurePeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of glycolytic processPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
positive regulation of DNA-templated transcriptionPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
nitric oxide metabolic processPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
positive regulation of fatty acid oxidationPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
positive regulation of lipid biosynthetic processPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of inflammatory responsePeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of cell growth involved in cardiac muscle cell developmentPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
enamel mineralizationPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
cellular response to fructose stimulusPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of miRNA transcriptionPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
negative regulation of leukocyte cell-cell adhesionPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
regulation of fatty acid transportPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
hormone-mediated signaling pathwayPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
fatty acid metabolic processPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
positive regulation of fatty acid metabolic processPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
cell differentiationPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (51)

Processvia Protein(s)Taxonomy
arylesterase activityCarbonic anhydrase 1Homo sapiens (human)
carbonate dehydratase activityCarbonic anhydrase 1Homo sapiens (human)
protein bindingCarbonic anhydrase 1Homo sapiens (human)
zinc ion bindingCarbonic anhydrase 1Homo sapiens (human)
hydro-lyase activityCarbonic anhydrase 1Homo sapiens (human)
cyanamide hydratase activityCarbonic anhydrase 1Homo sapiens (human)
arylesterase activityCarbonic anhydrase 2Homo sapiens (human)
carbonate dehydratase activityCarbonic anhydrase 2Homo sapiens (human)
protein bindingCarbonic anhydrase 2Homo sapiens (human)
zinc ion bindingCarbonic anhydrase 2Homo sapiens (human)
cyanamide hydratase activityCarbonic anhydrase 2Homo sapiens (human)
transcription cis-regulatory region bindingCellular tumor antigen p53Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
cis-regulatory region sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
core promoter sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
TFIID-class transcription factor complex bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
protease bindingCellular tumor antigen p53Homo sapiens (human)
p53 bindingCellular tumor antigen p53Homo sapiens (human)
DNA bindingCellular tumor antigen p53Homo sapiens (human)
chromatin bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription factor activityCellular tumor antigen p53Homo sapiens (human)
mRNA 3'-UTR bindingCellular tumor antigen p53Homo sapiens (human)
copper ion bindingCellular tumor antigen p53Homo sapiens (human)
protein bindingCellular tumor antigen p53Homo sapiens (human)
zinc ion bindingCellular tumor antigen p53Homo sapiens (human)
enzyme bindingCellular tumor antigen p53Homo sapiens (human)
receptor tyrosine kinase bindingCellular tumor antigen p53Homo sapiens (human)
ubiquitin protein ligase bindingCellular tumor antigen p53Homo sapiens (human)
histone deacetylase regulator activityCellular tumor antigen p53Homo sapiens (human)
ATP-dependent DNA/DNA annealing activityCellular tumor antigen p53Homo sapiens (human)
identical protein bindingCellular tumor antigen p53Homo sapiens (human)
histone deacetylase bindingCellular tumor antigen p53Homo sapiens (human)
protein heterodimerization activityCellular tumor antigen p53Homo sapiens (human)
protein-folding chaperone bindingCellular tumor antigen p53Homo sapiens (human)
protein phosphatase 2A bindingCellular tumor antigen p53Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingCellular tumor antigen p53Homo sapiens (human)
14-3-3 protein bindingCellular tumor antigen p53Homo sapiens (human)
MDM2/MDM4 family protein bindingCellular tumor antigen p53Homo sapiens (human)
disordered domain specific bindingCellular tumor antigen p53Homo sapiens (human)
general transcription initiation factor bindingCellular tumor antigen p53Homo sapiens (human)
molecular function activator activityCellular tumor antigen p53Homo sapiens (human)
promoter-specific chromatin bindingCellular tumor antigen p53Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
DNA-binding transcription activator activityPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
transcription coactivator bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specificPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specificPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
DNA bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
DNA-binding transcription factor activityPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
nuclear steroid receptor activityPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
nuclear receptor activityPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
protein bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
zinc ion bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
lipid bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
phosphatase bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
protein domain specific bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
mitogen-activated protein kinase kinase kinase bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
ubiquitin conjugating enzyme bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
sequence-specific DNA bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
protein-containing complex bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
NFAT protein bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
MDM2/MDM4 family protein bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
DNA-binding transcription factor bindingPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (23)

Processvia Protein(s)Taxonomy
cytosolCarbonic anhydrase 1Homo sapiens (human)
extracellular exosomeCarbonic anhydrase 1Homo sapiens (human)
cytoplasmCarbonic anhydrase 2Homo sapiens (human)
cytosolCarbonic anhydrase 2Homo sapiens (human)
plasma membraneCarbonic anhydrase 2Homo sapiens (human)
myelin sheathCarbonic anhydrase 2Homo sapiens (human)
apical part of cellCarbonic anhydrase 2Homo sapiens (human)
extracellular exosomeCarbonic anhydrase 2Homo sapiens (human)
cytoplasmCarbonic anhydrase 2Homo sapiens (human)
plasma membraneCarbonic anhydrase 2Homo sapiens (human)
apical part of cellCarbonic anhydrase 2Homo sapiens (human)
nuclear bodyCellular tumor antigen p53Homo sapiens (human)
nucleusCellular tumor antigen p53Homo sapiens (human)
nucleoplasmCellular tumor antigen p53Homo sapiens (human)
replication forkCellular tumor antigen p53Homo sapiens (human)
nucleolusCellular tumor antigen p53Homo sapiens (human)
cytoplasmCellular tumor antigen p53Homo sapiens (human)
mitochondrionCellular tumor antigen p53Homo sapiens (human)
mitochondrial matrixCellular tumor antigen p53Homo sapiens (human)
endoplasmic reticulumCellular tumor antigen p53Homo sapiens (human)
centrosomeCellular tumor antigen p53Homo sapiens (human)
cytosolCellular tumor antigen p53Homo sapiens (human)
nuclear matrixCellular tumor antigen p53Homo sapiens (human)
PML bodyCellular tumor antigen p53Homo sapiens (human)
transcription repressor complexCellular tumor antigen p53Homo sapiens (human)
site of double-strand breakCellular tumor antigen p53Homo sapiens (human)
germ cell nucleusCellular tumor antigen p53Homo sapiens (human)
chromatinCellular tumor antigen p53Homo sapiens (human)
transcription regulator complexCellular tumor antigen p53Homo sapiens (human)
protein-containing complexCellular tumor antigen p53Homo sapiens (human)
nucleusPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
nucleoplasmPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
chromatinPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
nucleusPeroxisome proliferator-activated receptor alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (391)

Assay IDTitleYearJournalArticle
AID1628613Antioxidant activity assessed as DPPH radical scavenging activity at 0.1 mg/ml incubated for 30 mins in dark by spectrophotometric analysis relative to trolox2016Bioorganic & medicinal chemistry letters, 08-15, Volume: 26, Issue:16
Antioxidant properties of thio-caffeine derivatives: Identification of the newly synthesized 8-[(pyrrolidin-1-ylcarbonothioyl)sulfanyl]caffeine as antioxidant and highly potent cytoprotective agent.
AID119180Time of recovery of righting reflux (RRT) in seconds was measured after administration of 100 mg/kg orally in mice for the promotional effect on recovery from coma.1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 2. Synthesis and pharmacology of the 1-(acylamino)-7-hydroxyindan derivatives.
AID1474948Antioxidant activity assessed as reduction in beta-carotene/linoleic acid bleaching activity after 2 hrs by spectrophotometric method2017Bioorganic & medicinal chemistry letters, 06-01, Volume: 27, Issue:11
Stereoselective synthesis of enantiopure N-substituted pyrrolidin-2,5-dione derivatives by 1,3-dipolar cycloaddition and assessment of their in vitro antioxidant and antibacterial activities.
AID1568740Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins by UV-Vis spectrophotometeric analysis2019European journal of medicinal chemistry, Sep-15, Volume: 178Medicinal prospects of antioxidants: A review.
AID276460DPPH radical scavenging activity2006Bioorganic & medicinal chemistry letters, Nov-15, Volume: 16, Issue:22
Synthesis and free radical scavenging activity of a novel metabolite from the fungus Colletotrichum gloeosporioides.
AID336270Antibacterial activity against Streptococcus mutans ATCC 25175 after 2 days by broth dilution method in presence of 0.5 MIC of crinitol1992Journal of natural products, Jun, Volume: 55, Issue:6
Antibacterial activity of crinitol and its potentiation.
AID361388Antioxidant activity assessed as DPPH free radical scavenging activity at 100 ug/mL2002Journal of natural products, Nov, Volume: 65, Issue:11
New antioxidant hydroquinone derivatives from the algicolous marine fungus Acremonium sp.
AID1238058Antioxidant activity incubated at 50 degC for 20 mins by FRAP assay2015Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16
Nitric oxide inhibitory activity and antioxidant evaluations of 2-benzoyl-6-benzylidenecyclohexanone analogs, a novel series of curcuminoid and diarylpentanoid derivatives.
AID1243357Antioxidant activity assessed as reduction of Fe3+ to Fe2+ after 20 mins2015Bioorganic & medicinal chemistry letters, Sep-15, Volume: 25, Issue:18
Isolation and structure elucidation of bioactive compounds from the roots of the Tunisian Ononis angustissima L.
AID1163973Antioxidant activity assessed as DPPH scavenging activity at 100 ug/ml after 30 mins by spectrophotometry2014European journal of medicinal chemistry, Oct-30, Volume: 86Anti-tyrosinase, antioxidant, and antibacterial activities of novel 5-hydroxy-4-acetyl-2,3-dihydronaphtho[1,2-b]furans.
AID1405928Antioxidant activity assessed as DPPH radical scavenging activity at 10'-4 M relative to control2018European journal of medicinal chemistry, Aug-05, Volume: 156Current progress on antioxidants incorporating the pyrazole core.
AID750850Antioxidant activity assessed as ferric ion reducing activity after 30 mins by spectrophotometric analysis2013Journal of natural products, Jun-28, Volume: 76, Issue:6
Bioactive dimeric carbazole alkaloids from Murraya koenigii.
AID619931Antioxidant activity assessed as inhibition of linoleic acid lipid peroxidation at 100 ug/ml measured after 6 hrs by ferric thiocynate method2011European journal of medicinal chemistry, Sep, Volume: 46, Issue:9
Isoeugenol-based novel potent antioxidants: synthesis and reactivity.
AID538400Antioxidant activity assessed as super oxide scavenging activity after 150 mins by spectrophotometric analysis2010Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23
Synthesis, antioxidant and toxicological study of novel pyrimido quinoline derivatives from 4-hydroxy-3-acyl quinolin-2-one.
AID1474951Antioxidant activity assessed as reduction in beta-carotene/linoleic acid bleaching activity at 2 mg/ml after 2 hrs by spectrophotometric method (Rvb = 1 to 8%)2017Bioorganic & medicinal chemistry letters, 06-01, Volume: 27, Issue:11
Stereoselective synthesis of enantiopure N-substituted pyrrolidin-2,5-dione derivatives by 1,3-dipolar cycloaddition and assessment of their in vitro antioxidant and antibacterial activities.
AID1474950Antioxidant activity assessed as reduction in beta-carotene/linoleic acid bleaching activity at 1 mg/ml after 2 hrs by spectrophotometric method (Rvb = 1 to 8%)2017Bioorganic & medicinal chemistry letters, 06-01, Volume: 27, Issue:11
Stereoselective synthesis of enantiopure N-substituted pyrrolidin-2,5-dione derivatives by 1,3-dipolar cycloaddition and assessment of their in vitro antioxidant and antibacterial activities.
AID179764In vitro inhibitory activity against rat microsomal lipid peroxidation (m-LPO)1989Journal of medicinal chemistry, Feb, Volume: 32, Issue:2
Studies on hindered phenols and analogues. 1. Hypolipidemic and hypoglycemic agents with ability to inhibit lipid peroxidation.
AID335633Antibacterial activity against Staphylococcus aureus ATCC 12598 after 2 days by broth dilution method1992Journal of natural products, Jun, Volume: 55, Issue:6
Antibacterial activity of crinitol and its potentiation.
AID119259Time of recovery of spontaneous movement (SMT) in seconds was measured after administration of 100 mg/kg orally in mice for the promotional effect on recovery from coma.1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 2. Synthesis and pharmacology of the 1-(acylamino)-7-hydroxyindan derivatives.
AID638443Antioxidant activity assessed as DPPH free radical scavenging activity after 30 mins2012Bioorganic & medicinal chemistry letters, Jan-01, Volume: 22, Issue:1
Maplexins, new α-glucosidase inhibitors from red maple (Acer rubrum) stems.
AID1064282Antioxidant activity assessed as trolox equivalents of ABTS radical scavenging activity after 30 mins by TEAC assay2014Journal of natural products, Jan-24, Volume: 77, Issue:1
Natural occurrence of organofluorine and other constituents from Streptomyces sp. TC1.
AID1163971Antioxidant activity assessed as DPPH scavenging activity at 25 ug/ml after 30 mins by spectrophotometry2014European journal of medicinal chemistry, Oct-30, Volume: 86Anti-tyrosinase, antioxidant, and antibacterial activities of novel 5-hydroxy-4-acetyl-2,3-dihydronaphtho[1,2-b]furans.
AID1474946Antioxidant activity assessed as DPPH free radical scavenging activity at 2.5 mg/ml incubated for 20 mins in dark (Rvb = 1 to 9%)2017Bioorganic & medicinal chemistry letters, 06-01, Volume: 27, Issue:11
Stereoselective synthesis of enantiopure N-substituted pyrrolidin-2,5-dione derivatives by 1,3-dipolar cycloaddition and assessment of their in vitro antioxidant and antibacterial activities.
AID774835Antioxidant activity assessed as DPPH radical scavenging activity at 100 ug after 10 mins by UV-Visible spectrophotometry2013European journal of medicinal chemistry, Oct, Volume: 68Synthesis, characterization and molecular docking studies of some new 1,3,4-oxadiazolines bearing 6-methylpyridine moiety for antimicrobial property.
AID1255364Antioxidant activity assessed as DPPH radical scavenging activity measured as discoloration incubated for 30 mins in dark relative to control2015European journal of medicinal chemistry, Oct-20, Volume: 103Correlation of antioxidant activities with theoretical studies for new hydrazone compounds bearing a 3,4,5-trimethoxy benzyl moiety.
AID588209Literature-mined public compounds from Greene et al multi-species hepatotoxicity modelling dataset2010Chemical research in toxicology, Jul-19, Volume: 23, Issue:7
Developing structure-activity relationships for the prediction of hepatotoxicity.
AID104147Antioxidant action tested in AAPH-induced malondialdehyde (MDA) of liposomes after 30 min1999Journal of medicinal chemistry, Jun-03, Volume: 42, Issue:11
1-Benzopyran-4-one antioxidants as aldose reductase inhibitors.
AID390103Antioxidant activity assessed as DPPH radical scavenging activity by Brand-Williams method2008Journal of natural products, Dec, Volume: 71, Issue:12
S-alkenyl cysteine sulfoxide and its antioxidant properties from Allium cepa var. tropeana (red onion) seeds.
AID289267Reduction of DPPH radical activity at 0.1 mM after 20 mins2007Bioorganic & medicinal chemistry, Sep-01, Volume: 15, Issue:17
Synthesis and pharmacochemical evaluation of novel aryl-acetic acid inhibitors of lipoxygenase, antioxidants, and anti-inflammatory agents.
AID1405918Antioxidant activity assessed as inhibition of DPPH radical at 250 ug/ml relative to control2018European journal of medicinal chemistry, Aug-05, Volume: 156Current progress on antioxidants incorporating the pyrazole core.
AID380377DPPH radical scavenging activity at 2.5 uM after 30 mins by spectrophotometric assay2000Journal of natural products, Jun, Volume: 63, Issue:6
Galloylglucosides from berries of Pimenta dioica.
AID1163972Antioxidant activity assessed as DPPH scavenging activity at 50 ug/ml after 30 mins by spectrophotometry2014European journal of medicinal chemistry, Oct-30, Volume: 86Anti-tyrosinase, antioxidant, and antibacterial activities of novel 5-hydroxy-4-acetyl-2,3-dihydronaphtho[1,2-b]furans.
AID1202774Antioxidant activity assessed as trolox equivalent of APPH radical scavenging activity preincubated for 30 mins followed by APPH addition measured after 90 mins by hydrophilic-ORAC fluorescence assay2015Journal of natural products, Feb-27, Volume: 78, Issue:2
Antioxidative compounds from Garcinia buchananii stem bark.
AID675281Free radical scavenging activity assessed as inhibition of DPPH radical generation at 25 ug2012European journal of medicinal chemistry, Sep, Volume: 55Synthesis, characterization and pharmacological study of 4,5-dihydropyrazolines carrying pyrimidine moiety.
AID774816Antioxidant activity assessed as ABTS radical scavenging activity after 6 mins2013Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21
Synthesis and antioxidant activity of novel Mannich base of 1,3,4-oxadiazole derivatives possessing 1,4-benzodioxan.
AID262006DPPH radical scavenging activity at 0.250 g/L2006Bioorganic & medicinal chemistry letters, Mar-01, Volume: 16, Issue:5
Evaluation of the antioxidant properties of diarylamines in the benzo[b]thiophene series by free radical scavenging activity and reducing power.
AID1405929Antioxidant activity assessed as H2O2 radical scavenging activity at 1 mM after 10 mins relative to control2018European journal of medicinal chemistry, Aug-05, Volume: 156Current progress on antioxidants incorporating the pyrazole core.
AID195850Ability to inhibit [Fe2+] induced lipid peroxidation (LPO) in rat brain microsomes2004Bioorganic & medicinal chemistry letters, Jul-16, Volume: 14, Issue:14
Novel dual inhibitors of calpain and lipid peroxidation.
AID356118Antioxidant activity assessed as inhibition of FeSO4-induced lipid peroxidation at 33 uM by TBARS assay2003Journal of natural products, Jul, Volume: 66, Issue:7
Antioxidative meroterpenoids from the brown alga Cystoseira crinita.
AID666941Antioxidant activity assessed as DPPH radical scavenging activity at 100 ug/ml after 30 mins by spectrophotometry2012Bioorganic & medicinal chemistry letters, Jul-01, Volume: 22, Issue:13
Evaluation of novel antioxidant triterpenoid saponins from the halophyte Salicornia herbacea.
AID422293Antioxidant activity assessed as DPPH radical scavenging activity2009Journal of natural products, Mar-27, Volume: 72, Issue:3
Antioxidant and anticholinesterase activity evaluation of ent-kaurane diterpenoids from Sideritis arguta.
AID1064283Antioxidant activity assessed as ferric ion reducing activity using fe3+-TPTZ by FRAP assay2014Journal of natural products, Jan-24, Volume: 77, Issue:1
Natural occurrence of organofluorine and other constituents from Streptomyces sp. TC1.
AID750847Antioxidant activity after 30 mins by ABTS+ radical cation decolourization assay2013Journal of natural products, Jun-28, Volume: 76, Issue:6
Bioactive dimeric carbazole alkaloids from Murraya koenigii.
AID119560Antihypoxic effect by the survival time (SVT) in mice at a dose of 30 mg/kg administered intraperitoneally.1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 2. Synthesis and pharmacology of the 1-(acylamino)-7-hydroxyindan derivatives.
AID566092Antioxidant activity assessed as DPPH radical scavenging activity at 0.05 mM after 20 mins2011European journal of medicinal chemistry, Jan, Volume: 46, Issue:1
One-pot microwave assisted synthesis under green chemistry conditions, antioxidant screening, and cytotoxicity assessments of benzimidazole Schiff bases and pyrimido[1,2-a]benzimidazol-3(4H)-ones.
AID1202775Antioxidant activity assessed as trolox equivalent of APPH radical scavenging activity preincubated for 30 mins followed by APPH addition measured after 90 mins by lipophilic-ORAC fluorescence assay2015Journal of natural products, Feb-27, Volume: 78, Issue:2
Antioxidative compounds from Garcinia buchananii stem bark.
AID603337Antioxidant activity assessed as DPPH free radical scavenging activity at 20 ug/4ml after 30 mins2011European journal of medicinal chemistry, Jul, Volume: 46, Issue:7
Synthesis, in vitro antioxidant, anthelmintic and molecular docking studies of novel dichloro substituted benzoxazole-triazolo-thione derivatives.
AID353029Antioxidant activity assessed as hydrogen peroxide scavenging activity at 60 ug/ml by spectrophotometry2009European journal of medicinal chemistry, Mar, Volume: 44, Issue:3
Synthesis of novel benzo[h]quinolines: wound healing, antibacterial, DNA binding and in vitro antioxidant activity.
AID356112Antioxidant activity assessed as DPPH radical scavenging activity at 115 uM after 30 mins2003Journal of natural products, Jul, Volume: 66, Issue:7
Antioxidative meroterpenoids from the brown alga Cystoseira crinita.
AID196223Relative efficacy gives an indication of the percent of viable cells (Rat cerebellar granule cells) at the maximal efficacious concentration of 6 uM2000Journal of medicinal chemistry, Jul-27, Volume: 43, Issue:15
3,5-Disubstituted-4-hydroxyphenyls linked to 3-hydroxy-2-methyl-4(1H)-pyridinone: potent inhibitors of lipid peroxidation and cell toxicity.
AID333732Antioxidant activity assessed as DPPH free radical scavenging activity2004Journal of natural products, Dec, Volume: 67, Issue:12
New acylated iridoid glucosides from Vitex altissima.
AID390102Antioxidant activity by ferric reducing antioxidant power assay2008Journal of natural products, Dec, Volume: 71, Issue:12
S-alkenyl cysteine sulfoxide and its antioxidant properties from Allium cepa var. tropeana (red onion) seeds.
AID1288383Antioxidant activity assessed as DPPH free radical scavenging activity treated with methanol after 50 mins2016European journal of medicinal chemistry, May-23, Volume: 114The cysteine releasing pattern of some antioxidant thiazolidine-4-carboxylic acids.
AID1191656Antioxidant activity assessed as DPPH scavenging activity after 30 mins by spectrophotometry2015Bioorganic & medicinal chemistry letters, Mar-01, Volume: 25, Issue:5
Schiff's bases of quinazolinone derivatives: Synthesis and SAR studies of a novel series of potential anti-inflammatory and antioxidants.
AID1424253Antioxidant activity assessed as effect on linolenic acid autooxidation in presence of 0.015 M SDS based micellar systems2017European journal of medicinal chemistry, Jun-16, Volume: 133Free radicals and polyphenols: The redox chemistry of neurodegenerative diseases.
AID361389Antioxidant activity assessed as DPPH free radical scavenging activity at 500 ug/mL2002Journal of natural products, Nov, Volume: 65, Issue:11
New antioxidant hydroquinone derivatives from the algicolous marine fungus Acremonium sp.
AID1255363Antioxidant activity assessed as DPPH radical scavenging activity measured as discoloration incubated for 30 mins in dark2015European journal of medicinal chemistry, Oct-20, Volume: 103Correlation of antioxidant activities with theoretical studies for new hydrazone compounds bearing a 3,4,5-trimethoxy benzyl moiety.
AID450088Antioxidant activity assessed as superoxide anion scavenging activity by NBT reduction assay2009Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18
Antioxidant activity of 5,10-dihydroindeno[1,2-b]indoles containing substituents on dihydroindeno part.
AID119409Time of recovery of spontaneous movement (SMT) in seconds was measured after intraperitoneal administration of 30 mg/kg in mice for the promotional effect on recovery from coma.1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 2. Synthesis and pharmacology of the 1-(acylamino)-7-hydroxyindan derivatives.
AID1168136Antioxidant activity assessed as DPPH free radical scavenging activity after 60 mins by spectrophotometry2014European journal of medicinal chemistry, Nov-24, Volume: 87PASS-assisted design, synthesis and antioxidant evaluation of new butylated hydroxytoluene derivatives.
AID104149Antioxidant action tested in AAPH-induced malondialdehyde (MDA) of liposomes after 5 min1999Journal of medicinal chemistry, Jun-03, Volume: 42, Issue:11
1-Benzopyran-4-one antioxidants as aldose reductase inhibitors.
AID1424252Antioxidant activity assessed as effect on linolenic acid autooxidation in presence of 0.5 M SDS based micellar systems2017European journal of medicinal chemistry, Jun-16, Volume: 133Free radicals and polyphenols: The redox chemistry of neurodegenerative diseases.
AID67827Inhibitory concentration tested against bovine endothelial nitric oxide synthase (eNOS); Not active2003Bioorganic & medicinal chemistry letters, Jan-20, Volume: 13, Issue:2
Novel inhibitors of neuronal nitric oxide synthase with potent antioxidant properties.
AID119554Antihypoxic effect tested by the survival time (SVT) in mice at a dose of 100 mg/kg1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 1. Synthesis and pharmacology of 1-amino-7-hydroxyindan derivatives.
AID1272819Antioxidant activity of the compound assessed as DPPH radical scavenging after 30 mins by spectrophotometric analysis2016Bioorganic & medicinal chemistry letters, Feb-01, Volume: 26, Issue:3
Antileishmanial activity of novel indolyl-coumarin hybrids: Design, synthesis, biological evaluation, molecular docking study and in silico ADME prediction.
AID736224Antioxidant activity in rat hepatic microsomes assessed as inhibition of lipid peroxidation after 45 mins by spectrophotometric analysis2013Journal of medicinal chemistry, Apr-25, Volume: 56, Issue:8
New multifunctional Di-tert-butylphenoloctahydro(pyrido/benz)oxazine derivatives with antioxidant, antihyperlipidemic, and antidiabetic action.
AID181537Antioxidant potency of compound was assessed for their ability to inhibit [Fe2+] induced lipid peroxidation in rat brain microsomes2003Bioorganic & medicinal chemistry letters, Jan-20, Volume: 13, Issue:2
Novel inhibitors of neuronal nitric oxide synthase with potent antioxidant properties.
AID666939Antioxidant activity assessed as DPPH radical scavenging activity at 10 ug/ml after 30 mins by spectrophotometry2012Bioorganic & medicinal chemistry letters, Jul-01, Volume: 22, Issue:13
Evaluation of novel antioxidant triterpenoid saponins from the halophyte Salicornia herbacea.
AID181671Compound tested to inhibit (LPO) lipid peroxidation was determined in rat brain microsomes2004Bioorganic & medicinal chemistry letters, Jan-05, Volume: 14, Issue:1
Phenolic thiazoles as novel orally-active neuroprotective agents.
AID675282Free radical scavenging activity assessed as inhibition of DPPH radical generation at 50 ug2012European journal of medicinal chemistry, Sep, Volume: 55Synthesis, characterization and pharmacological study of 4,5-dihydropyrazolines carrying pyrimidine moiety.
AID119194Time of recovery of righting reflux (RRT) in seconds was measured after intraperitoneal administration of 30 mg/kg in mice for the promotional effect on recovery from coma.1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 2. Synthesis and pharmacology of the 1-(acylamino)-7-hydroxyindan derivatives.
AID1871454Antioxidant activity assessed as DPPH radical scavenging activity incubated for 30 mins in dark condition by spectrophotometrical analysis2022European journal of medicinal chemistry, Jan-05, Volume: 227Coumarin-benzimidazole hybrids: A review of developments in medicinal chemistry.
AID678714Inhibition of human CYP2C19 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 3-butyryl-7-methoxycoumarin as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID282835Cytotoxicity against mouse L1210 cells2005Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23
Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.
AID678717Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-benzyloxyquinoline as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID1255365Antioxidant activity assessed as ferric ion reducing activity using fe3+-TPTZ assessed as fe2+-TPTZ formation after 30 mins by FRAP assay2015European journal of medicinal chemistry, Oct-20, Volume: 103Correlation of antioxidant activities with theoretical studies for new hydrazone compounds bearing a 3,4,5-trimethoxy benzyl moiety.
AID402077Antioxidant activity assessed as peroxide value relative to control1998Journal of natural products, Aug, Volume: 61, Issue:8
Antioxidative bromoindole derivatives from the mid-intestinal gland of the muricid gastropod Drupella fragum.
AID750845Antioxidant activity assessed as nitric oxide scavenging activity after 150 mins by Greiss method2013Journal of natural products, Jun-28, Volume: 76, Issue:6
Bioactive dimeric carbazole alkaloids from Murraya koenigii.
AID720997Antioxidant activity assessed as ABTS radical scavenging activity after 3 mins by spectrophotometry2013Bioorganic & medicinal chemistry letters, Jan-01, Volume: 23, Issue:1
Synthesis and antioxidant activities of 2-oxo-quinoline-3-carbaldehyde Schiff-base derivatives.
AID720996Antioxidant activity assessed as hydroxyl radical scavenging activity after 1 hr by spectrophotometry2013Bioorganic & medicinal chemistry letters, Jan-01, Volume: 23, Issue:1
Synthesis and antioxidant activities of 2-oxo-quinoline-3-carbaldehyde Schiff-base derivatives.
AID356108Antioxidant activity assessed as DPPH radical scavenging activity at 6 uM after 30 mins2003Journal of natural products, Jul, Volume: 66, Issue:7
Antioxidative meroterpenoids from the brown alga Cystoseira crinita.
AID104148Antioxidant action tested in AAPH-induced malondialdehyde (MDA) of liposomes after 40 min1999Journal of medicinal chemistry, Jun-03, Volume: 42, Issue:11
1-Benzopyran-4-one antioxidants as aldose reductase inhibitors.
AID1055053Antioxidant activity assessed as DPPH free radical scavenging activity after 30 mins by spectrophotometry2013Bioorganic & medicinal chemistry letters, Dec-01, Volume: 23, Issue:23
Facile preparation of tetrahydro-5H-pyrido[1,2,3-de]-1,4-benzoxazines via reductive cyclization of 2-(8-quinolinyloxy)ethanones and their antioxidant activity.
AID1064278Antioxidant activity assessed as superoxide radical scavenging activity by NBT reduction assay2014Journal of natural products, Jan-24, Volume: 77, Issue:1
Natural occurrence of organofluorine and other constituents from Streptomyces sp. TC1.
AID1405947Antioxidant activity assessed as DPPH radical scavenging activity at 5 mM relative to control2018European journal of medicinal chemistry, Aug-05, Volume: 156Current progress on antioxidants incorporating the pyrazole core.
AID312787Inhibition of Fe2+-induced lipid peroxidation in rat brain homogenate2008Journal of medicinal chemistry, Feb-14, Volume: 51, Issue:3
Synthesis and evaluation of 2'-hydroxyethyl trans-apovincaminate derivatives as antioxidant and cognitive enhancer agents.
AID678715Inhibition of human CYP2D6 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 4-methylaminoethyl-7-methoxycoumarin as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID619938Antioxidant activity assessed as residual ABTS+ radical scavenging activity after 30 mins by spectrophotometric analysis2011European journal of medicinal chemistry, Sep, Volume: 46, Issue:9
Isoeugenol-based novel potent antioxidants: synthesis and reactivity.
AID361386Antioxidant activity assessed as DPPH free radical scavenging activity at 25 ug/mL2002Journal of natural products, Nov, Volume: 65, Issue:11
New antioxidant hydroquinone derivatives from the algicolous marine fungus Acremonium sp.
AID1659540Antioxidant activity assessed as inhibition of Fe(II)-induced lipid peroxidation after 30 mins by TBARS assay2020Bioorganic & medicinal chemistry, 05-01, Volume: 28, Issue:9
Synthesis and biological evaluation of new antioxidant and antiproliferative chalcogenobiotin derivatives for bladder carcinoma treatment.
AID355894Antioxidant activity assessed as DPPH radical scavenging activity at 25 ug/mL2003Journal of natural products, May, Volume: 66, Issue:5
Two new xanthone derivatives from the algicolous marine fungus Wardomyces anomalus.
AID1059454Antioxidant activity assessed as trolox equivalent of APPH-induced peroxyl radical scavenging activity at 5 to 20 uM measured every 1 min for 120 mins by ORAC fluorescence assay2013Bioorganic & medicinal chemistry letters, Dec-15, Volume: 23, Issue:24
Synthesis, antioxidant capacity, and structure-activity relationships of tri-O-methylnorbergenin analogues on tyrosinase inhibition.
AID752821Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins2013Bioorganic & medicinal chemistry letters, Jun-15, Volume: 23, Issue:12
Synthesis of 7-oxabicyclo[2.2.1]hept-5-en-2-yl derivatives and their screening for antimicrobial and antioxidant properties.
AID1276363Antitubercular activity against Mycobacterium bovis BCG ATCC 35743 after 10 mins by NR assay2016Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue:2
Synthesis and bioactivity of novel triazole incorporated benzothiazinone derivatives as antitubercular and antioxidant agent.
AID1412199Antioxidant activity assessed as DPPH free radical scavenging at 6.25 x 10'-6mol/L after 10 mins by UV-vis spectrophotometric analysis relative to control2018MedChemComm, Feb-01, Volume: 9, Issue:2
Antiproliferative activity of novel isatinyl/indanyl nitrones (INs) as potential spin trapping agents of free radical intermediates.
AID1064279Antioxidant activity assessed as hydroxyl radical scavenging activity after 15 mins by spectrophotometric analysis2014Journal of natural products, Jan-24, Volume: 77, Issue:1
Natural occurrence of organofluorine and other constituents from Streptomyces sp. TC1.
AID195714Compound was tested for its inhibitory concentration against formation of lipid peroxides in rat brain homogenates by thiobarbituric acid reactive substances (TBARS) assay according to the method of Stocks.2002Bioorganic & medicinal chemistry letters, Sep-16, Volume: 12, Issue:18
Synthesis and evaluation of 4-hydroxyphenylacetic acid amides and 4-hydroxycinnamamides as antioxidants.
AID1407192Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-induced NO production at 10 to 30 uM after 24 hrs by Griess assay2018European journal of medicinal chemistry, Sep-05, Volume: 157Donepezil-butylated hydroxytoluene (BHT) hybrids as Anti-Alzheimer's disease agents with cholinergic, antioxidant, and neuroprotective properties.
AID767447Antioxidant activity assessed as DPPH free radical scavenging activity after 30 mins2013European journal of medicinal chemistry, Sep, Volume: 67Regioselective synthesis of phenanthrenes and evaluation of their anti-oxidant based anti-inflammatory potential.
AID1276361Antioxidant activity assessed as DPPH radical scavenging activity by spectrophotometric assay2016Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue:2
Synthesis and bioactivity of novel triazole incorporated benzothiazinone derivatives as antitubercular and antioxidant agent.
AID336951Inhibition of soybean arachidonate 15-lipoxygenase by oxygen electrode method
AID450087Antioxidant activity assessed as DMPD radical scavenging activity2009Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18
Antioxidant activity of 5,10-dihydroindeno[1,2-b]indoles containing substituents on dihydroindeno part.
AID262004DPPH radical scavenging activity at 0.0625 g/L2006Bioorganic & medicinal chemistry letters, Mar-01, Volume: 16, Issue:5
Evaluation of the antioxidant properties of diarylamines in the benzo[b]thiophene series by free radical scavenging activity and reducing power.
AID1437486Antioxidant activity assessed as DPPH radical scavenging activity2017Journal of natural products, 01-27, Volume: 80, Issue:1
Antioxidant Hydroanthraquinones from the Marine Algal-Derived Endophytic Fungus Talaromyces islandicus EN-501.
AID619937Antioxidant activity assessed as residual DPPH radical scavenging activity after 30 mins by spectrophotometric analysis2011European journal of medicinal chemistry, Sep, Volume: 46, Issue:9
Isoeugenol-based novel potent antioxidants: synthesis and reactivity.
AID626496Antioxidant activity assessed as DPPH free radical scavenging activity after 30 mins by spectrophotometric analysis2011Bioorganic & medicinal chemistry letters, Nov-15, Volume: 21, Issue:22
Synthesis and antioxidant activities of novel 4-Schiff base-7-benzyloxy-coumarin derivatives.
AID758229Antioxidant activity assessed as DPPH free radical scavenging activity after 30 mins by spectrophotometric analysis2013Bioorganic & medicinal chemistry letters, Jul-15, Volume: 23, Issue:14
New bioactive dihydrofuranocoumarins from the roots of the Tunisian Ferula lutea (Poir.) Maire.
AID336255Antibacterial activity against Propionibacterium acnes ATCC 11827 after 2 days by broth dilution method1992Journal of natural products, Jun, Volume: 55, Issue:6
Antibacterial activity of crinitol and its potentiation.
AID166112In vitro inhibition of rabbit LDL oxidation by soybean lipoxygenase.1998Journal of medicinal chemistry, Oct-22, Volume: 41, Issue:22
Novel calcium antagonists with both calcium overload inhibition and antioxidant activity. 1. 2-(3, 5-di-tert-butyl-4-hydroxyphenyl)-3-(aminopropyl)thiazolidinones.
AID104146Antioxidant action tested in AAPH-induced malondialdehyde (MDA) of liposomes after 15 min1999Journal of medicinal chemistry, Jun-03, Volume: 42, Issue:11
1-Benzopyran-4-one antioxidants as aldose reductase inhibitors.
AID195193Compound was tested in vitro for [Ca2+] antagonistic activity in K+-depolarized isolated rat aorta1999Journal of medicinal chemistry, Aug-12, Volume: 42, Issue:16
Novel calcium antagonists with both calcium overload inhibition and antioxidant activity. 2. Structure-activity relationships of thiazolidinone derivatives.
AID1335315Antioxidant activity assessed as DPPH free radical scavenging activity after 2 hrs by spectrophotometric analysis2016European journal of medicinal chemistry, Nov-29, Volume: 124New piperidine-hydrazone derivatives: Synthesis, biological evaluations and molecular docking studies as AChE and BChE inhibitors.
AID1202779Antioxidant activity assessed as trolox equivalent of ABTS radical scavenging activity measured for 1 to 6 mins by lipophilic-TEAC fluorescence assay2015Journal of natural products, Feb-27, Volume: 78, Issue:2
Antioxidative compounds from Garcinia buchananii stem bark.
AID1405921Antioxidant activity assessed as DPPH radical scavenging activity relative to control2018European journal of medicinal chemistry, Aug-05, Volume: 156Current progress on antioxidants incorporating the pyrazole core.
AID262003DPPH radical scavenging activity at 0.0312 g/L2006Bioorganic & medicinal chemistry letters, Mar-01, Volume: 16, Issue:5
Evaluation of the antioxidant properties of diarylamines in the benzo[b]thiophene series by free radical scavenging activity and reducing power.
AID119556Antihypoxic effect by the survival time (SVT) in mice at a dose of 100 mg/kg administered orally.1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 2. Synthesis and pharmacology of the 1-(acylamino)-7-hydroxyindan derivatives.
AID720995Antioxidant activity assessed as DPPH scavenging activity after 30 mins by spectrophotometry2013Bioorganic & medicinal chemistry letters, Jan-01, Volume: 23, Issue:1
Synthesis and antioxidant activities of 2-oxo-quinoline-3-carbaldehyde Schiff-base derivatives.
AID282840Induction of DNA fragmentation in human HL60 cells after 16 hrs2005Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23
Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.
AID119179Time of recovery of righting reflux (RRT) in seconds was measured after administration of 100 mg/kg orally in mice for the promotional effect on recovery from coma1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 1. Synthesis and pharmacology of 1-amino-7-hydroxyindan derivatives.
AID1228617Antioxidant activity assessed as hydroxy radical-scavenging activity2015Journal of natural products, May-22, Volume: 78, Issue:5
Anti-inflammatory Hydrolyzable Tannins from Myricaria bracteata.
AID195018The concentration of compound required to inhibit generation of superoxide by 50 percent in rat liver1990Journal of medicinal chemistry, May, Volume: 33, Issue:5
Studies on hindered phenols and analogues. 2. 1,3-Benzoxathioles having SRS-A inhibiting activity.
AID361385Antioxidant activity assessed as DPPH free radical scavenging activity at 5 ug/mL2002Journal of natural products, Nov, Volume: 65, Issue:11
New antioxidant hydroquinone derivatives from the algicolous marine fungus Acremonium sp.
AID211833Ability to inhibit KCN induced toxicity in mice 1 hr before the oral administration of the compound; NS= non significant effect when tested at 30 mg/kg (po)2004Bioorganic & medicinal chemistry letters, Jan-05, Volume: 14, Issue:1
Phenolic thiazoles as novel orally-active neuroprotective agents.
AID403737Antioxidant activity assessed as DPPH free radical scavenging activity after 30 mins by TLC autographic assay2005Journal of natural products, Aug, Volume: 68, Issue:8
Antioxidant constituents of the aerial parts of Globularia alypum growing in Morocco.
AID380373DPPH radical scavenging activity at 40 uM after 30 mins by spectrophotometric assay2000Journal of natural products, Jun, Volume: 63, Issue:6
Galloylglucosides from berries of Pimenta dioica.
AID353030Antioxidant activity assessed as DPPH radical scavenging activity2009European journal of medicinal chemistry, Mar, Volume: 44, Issue:3
Synthesis of novel benzo[h]quinolines: wound healing, antibacterial, DNA binding and in vitro antioxidant activity.
AID619935Antioxidant activity assessed as inhibition of linoleic acid lipid peroxidation at 100 ug/ml measured after 30 hrs by ferric thiocynate method2011European journal of medicinal chemistry, Sep, Volume: 46, Issue:9
Isoeugenol-based novel potent antioxidants: synthesis and reactivity.
AID380376DPPH radical scavenging activity at 5 uM after 30 mins by spectrophotometric assay2000Journal of natural products, Jun, Volume: 63, Issue:6
Galloylglucosides from berries of Pimenta dioica.
AID1407186Antioxidant activity assessed as trolox equivalent of AAPH-induced radical scavenging activity preincubated for 15 mins followed by AAPH addition measured every minute for 120 mins by ORAC-FL based fluorescein assay2018European journal of medicinal chemistry, Sep-05, Volume: 157Donepezil-butylated hydroxytoluene (BHT) hybrids as Anti-Alzheimer's disease agents with cholinergic, antioxidant, and neuroprotective properties.
AID1506752Antioxidant activity assessed as DPPH radical scavenging activity at 0.25 mM measured at 22.5 +/- 0.87 mins2017MedChemComm, Feb-01, Volume: 8, Issue:2
Synthesis, antioxidant and antitumoral activities of 5'-arylchalcogeno-3-aminothymidine (ACAT) derivatives.
AID356111Antioxidant activity assessed as DPPH radical scavenging activity at 58 uM after 30 mins2003Journal of natural products, Jul, Volume: 66, Issue:7
Antioxidative meroterpenoids from the brown alga Cystoseira crinita.
AID626350Antioxidant activity assessed as DPPH free radical scavenging activity at 100 uM after 30 mins2011European journal of medicinal chemistry, Nov, Volume: 46, Issue:11
Hantzsch reaction: synthesis and characterization of some new 1,4-dihydropyridine derivatives as potent antimicrobial and antioxidant agents.
AID1243355Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins2015Bioorganic & medicinal chemistry letters, Sep-15, Volume: 25, Issue:18
Isolation and structure elucidation of bioactive compounds from the roots of the Tunisian Ononis angustissima L.
AID753094Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins by spectrophotometric analysis2013European journal of medicinal chemistry, Jun, Volume: 64Synthesis, cytotoxic activity and DNA-interaction studies of novel anthraquinone-thiosemicarbazones with tautomerizable methylene group.
AID1893994Antioxidant activity assessed as DPPH radical scavenging activity relative to control2021European journal of medicinal chemistry, Jan-15, Volume: 210Xanthenes in Medicinal Chemistry - Synthetic strategies and biological activities.
AID1628616Antioxidant activity assessed as ferric ion reducing activity using Fe3+(CN-)6 incubated for 20 mins by spectrophotometric analysis2016Bioorganic & medicinal chemistry letters, 08-15, Volume: 26, Issue:16
Antioxidant properties of thio-caffeine derivatives: Identification of the newly synthesized 8-[(pyrrolidin-1-ylcarbonothioyl)sulfanyl]caffeine as antioxidant and highly potent cytoprotective agent.
AID1474949Antioxidant activity assessed as reduction in beta-carotene/linoleic acid bleaching activity at 0.5 mg/ml after 2 hrs by spectrophotometric method (Rvb = 1 to 8 %)2017Bioorganic & medicinal chemistry letters, 06-01, Volume: 27, Issue:11
Stereoselective synthesis of enantiopure N-substituted pyrrolidin-2,5-dione derivatives by 1,3-dipolar cycloaddition and assessment of their in vitro antioxidant and antibacterial activities.
AID1407185Antioxidant activity assessed as ABTS radical cation scavenging activity by measuring trolox equivalent antioxidant capacity measured at 6 mins2018European journal of medicinal chemistry, Sep-05, Volume: 157Donepezil-butylated hydroxytoluene (BHT) hybrids as Anti-Alzheimer's disease agents with cholinergic, antioxidant, and neuroprotective properties.
AID538395Antioxidant activity assessed as total reducing activity after 30 mins by spectrophotometric analysis2010Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23
Synthesis, antioxidant and toxicological study of novel pyrimido quinoline derivatives from 4-hydroxy-3-acyl quinolin-2-one.
AID758227Antioxidant activity assessed as H2O2 scavenging activity by NBT reduction assay2013Bioorganic & medicinal chemistry letters, Jul-15, Volume: 23, Issue:14
New bioactive dihydrofuranocoumarins from the roots of the Tunisian Ferula lutea (Poir.) Maire.
AID678720Metabolic stability in human liver microsomes assessed as low signal/noise ratio (S/N of 1 to 10) by measuring GSH adduct formation at 100 uM after 90 mins by HPLC-MS analysis2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID380374DPPH radical scavenging activity at 20 uM after 30 mins by spectrophotometric assay2000Journal of natural products, Jun, Volume: 63, Issue:6
Galloylglucosides from berries of Pimenta dioica.
AID356738Antioxidant activity against beta-carotene and linoleic acid assessed asbleaching of beta-carotene at 120 mins by autooxidation assay2001Journal of natural products, Jul, Volume: 64, Issue:7
Antioxidant principles from Bauhinia tarapotensis.
AID1238057Antioxidant activity assessed as DPPH radical scavenging activity incubated for 30 mins under dark conditions2015Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16
Nitric oxide inhibitory activity and antioxidant evaluations of 2-benzoyl-6-benzylidenecyclohexanone analogs, a novel series of curcuminoid and diarylpentanoid derivatives.
AID1859602Antioxidant activity assessed as FRAP radical activity at 1 mM by FRAP assay2022European journal of medicinal chemistry, Aug-05, Volume: 238Halogen substituents enhance oxime nucleophilicity for reactivation of cholinesterases inhibited by nerve agents.
AID1474953Antioxidant activity assessed as reduction in beta-carotene/linoleic acid bleaching activity at 3 mg/ml after 2 hrs by spectrophotometric method (Rvb = 1 to 8%)2017Bioorganic & medicinal chemistry letters, 06-01, Volume: 27, Issue:11
Stereoselective synthesis of enantiopure N-substituted pyrrolidin-2,5-dione derivatives by 1,3-dipolar cycloaddition and assessment of their in vitro antioxidant and antibacterial activities.
AID116731Acute toxicity measured as median lethal dose in mice; Range is 180-2001980Journal of medicinal chemistry, Dec, Volume: 23, Issue:12
Synthesis, biological evaluation, and preliminary structure-activity considerations of a series of alkylphenols as intravenous anesthetic agents.
AID264513Antioxidant activity assessed as inhibition of TBARS production in ferrous salt/ascorbate-induced lipid peroxidation in Wistar rat liver microsomal membrane2006Journal of medicinal chemistry, May-18, Volume: 49, Issue:10
NO-donor phenols: a new class of products endowed with antioxidant and vasodilator properties.
AID1201588Antioxidant activity assessed as DPPH radical scavenging activity incubated for 10 mins by UV-visible spectrometry2015European journal of medicinal chemistry, May-05, Volume: 95Synthesis and biological evaluation of new imidazo[2,1-b][1,3,4]thiadiazole-benzimidazole derivatives.
AID422294Antioxidant activity assessed as superoxide radical scavenging activity by phenazin methosulphate-NADH-NBT assay2009Journal of natural products, Mar-27, Volume: 72, Issue:3
Antioxidant and anticholinesterase activity evaluation of ent-kaurane diterpenoids from Sideritis arguta.
AID196215Ability to protect cerebellar granule cells (CGC) from iodoacetate (IAA)-induced toxicity2000Journal of medicinal chemistry, Jul-27, Volume: 43, Issue:15
3,5-Disubstituted-4-hydroxyphenyls linked to 3-hydroxy-2-methyl-4(1H)-pyridinone: potent inhibitors of lipid peroxidation and cell toxicity.
AID1197691Antioxidant activity assessed as DPPH radical scavenging activity at 10'-4 M incubated for 30 mins by spectrophotometry2015European journal of medicinal chemistry, Mar-06, Volume: 92Microwave-assisted synthesis of certain pyrrolylpyridines, some derived ring systems and their evaluation as anticancer and antioxidant agents.
AID1439805Antioxidant activity assessed as assessed as ferric ion reducing activity by measuring absorbance at 700 nm at 20 ug/ml after 20 mins by spectrophotometric method2017Bioorganic & medicinal chemistry letters, 04-01, Volume: 27, Issue:7
Biologically active perspective synthesis of heteroannulated 8-nitroquinolines with green chemistry approach.
AID588210Human drug-induced liver injury (DILI) modelling dataset from Ekins et al2010Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 38, Issue:12
A predictive ligand-based Bayesian model for human drug-induced liver injury.
AID619932Antioxidant activity assessed as inhibition of linoleic acid lipid peroxidation at 100 ug/ml measured after 12 hrs by ferric thiocynate method2011European journal of medicinal chemistry, Sep, Volume: 46, Issue:9
Isoeugenol-based novel potent antioxidants: synthesis and reactivity.
AID539850Antioxidant activity assessed as hydrogen peroxide radical scavenging activity after 40 mins by spectrophotometry relative to control2010Bioorganic & medicinal chemistry letters, Dec-15, Volume: 20, Issue:24
Synthesis, antimicrobial and antioxidant evaluation of quinolines and bis(indolyl)methanes.
AID539848Antioxidant activity assessed as hydrogen peroxide radical scavenging activity after 20 mins by spectrophotometry relative to control2010Bioorganic & medicinal chemistry letters, Dec-15, Volume: 20, Issue:24
Synthesis, antimicrobial and antioxidant evaluation of quinolines and bis(indolyl)methanes.
AID46514Inhibitory activity against on human calpain 1; Not active2004Bioorganic & medicinal chemistry letters, Jul-16, Volume: 14, Issue:14
Novel dual inhibitors of calpain and lipid peroxidation.
AID119192Time of recovery of righting reflux (RRT) in seconds was measured after intraperitoneal administration of 100 mg/kg in mice for the promotional effect on recovery from coma.1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 2. Synthesis and pharmacology of the 1-(acylamino)-7-hydroxyindan derivatives.
AID119552Antihypoxic effect by the survival time (SVT) in mice at a dose of 100 mg/kg administered intraperitoneally in mice1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 1. Synthesis and pharmacology of 1-amino-7-hydroxyindan derivatives.
AID1288382Antioxidant activity assessed as DPPH free radical scavenging activity treated with 5% DMSO after 50 mins2016European journal of medicinal chemistry, May-23, Volume: 114The cysteine releasing pattern of some antioxidant thiazolidine-4-carboxylic acids.
AID336250Antibacterial activity against Streptococcus mutans ATCC 25175 after 2 days by broth dilution method1992Journal of natural products, Jun, Volume: 55, Issue:6
Antibacterial activity of crinitol and its potentiation.
AID402708Antioxidant activity assessed as inhibition of copper-induced lipid peroxidation by Fe3(CN)6 method at 300 uM2005Journal of natural products, Jul, Volume: 68, Issue:7
A labdane diterpene glucoside from the rhizomes of Curcuma mangga.
AID720998Antioxidant activity assessed as superoxide anion radical scavenging activity after 5 mins by spectrophotometry2013Bioorganic & medicinal chemistry letters, Jan-01, Volume: 23, Issue:1
Synthesis and antioxidant activities of 2-oxo-quinoline-3-carbaldehyde Schiff-base derivatives.
AID355896Antioxidant activity assessed as DPPH radical scavenging activity at 100 ug/mL2003Journal of natural products, May, Volume: 66, Issue:5
Two new xanthone derivatives from the algicolous marine fungus Wardomyces anomalus.
AID1076258Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins by spectrophotometric assay2014European journal of medicinal chemistry, Mar-21, Volume: 75Synthesis, docking and evaluation of antioxidant and antimicrobial activities of novel 1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-yl)selenopheno[2,3-d]pyrimidines.
AID1168139Antioxidant activity assessed as inhibition of lipid peroxidation at 100 uM after 1 hr by TBARS assay2014European journal of medicinal chemistry, Nov-24, Volume: 87PASS-assisted design, synthesis and antioxidant evaluation of new butylated hydroxytoluene derivatives.
AID624609Specific activity of expressed human recombinant UGT1A62000Annual review of pharmacology and toxicology, , Volume: 40Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID314540Inhibition of lipid peroxidation in Sprague-Dawley rat brain after 30 mins by TBARS assay2008Bioorganic & medicinal chemistry letters, Mar-01, Volume: 18, Issue:5
Synthesis and antioxidant activities of 3,5-dialkoxy-4-hydroxycinnamamides.
AID767448Antioxidant activity assessed as galvinoxyl free radical scavenging activity after 20 mins2013European journal of medicinal chemistry, Sep, Volume: 67Regioselective synthesis of phenanthrenes and evaluation of their anti-oxidant based anti-inflammatory potential.
AID758226Antioxidant activity assessed as superoxide radical scavenging activity after 2 mins by NBT reduction assay2013Bioorganic & medicinal chemistry letters, Jul-15, Volume: 23, Issue:14
New bioactive dihydrofuranocoumarins from the roots of the Tunisian Ferula lutea (Poir.) Maire.
AID492140Antioxidant activity assessed as formazan formation induced absorbance changes at 25 ppm at 570 nm at 37 degC for 6 hrs by MTT assay2010Journal of natural products, Jul-23, Volume: 73, Issue:7
An efficient and economical MTT assay for determining the antioxidant activity of plant natural product extracts and pure compounds.
AID1126576Antioxidant activity against lipid peroxidation in Wister rat brain homogenates assessed as thiobarbituric acid reactive substance formation after 30 mins by spectrophotometer analysis2014European journal of medicinal chemistry, May-06, Volume: 78Synthesis and biological evaluation of N-dehydrodipeptidyl-N,N'-dicyclohexylurea analogs.
AID361383Antioxidant activity assessed as inhibition of linolenic acid peroxidation at 7.4 ug/mL by TBARS assay2002Journal of natural products, Nov, Volume: 65, Issue:11
New antioxidant hydroquinone derivatives from the algicolous marine fungus Acremonium sp.
AID538398Antioxidant activity assessed as DPPH free radical scavenging activity after 30 mins by spectrophotometric analysis2010Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23
Synthesis, antioxidant and toxicological study of novel pyrimido quinoline derivatives from 4-hydroxy-3-acyl quinolin-2-one.
AID1474943Antioxidant activity assessed as DPPH free radical scavenging activity at 0.5 mg/ml incubated for 20 mins in dark (Rvb = 1 to 9 %)2017Bioorganic & medicinal chemistry letters, 06-01, Volume: 27, Issue:11
Stereoselective synthesis of enantiopure N-substituted pyrrolidin-2,5-dione derivatives by 1,3-dipolar cycloaddition and assessment of their in vitro antioxidant and antibacterial activities.
AID1377034Lipophilicity, log P of the compound2017Journal of natural products, 06-23, Volume: 80, Issue:6
Derivatives of the Lignan 7'-Hydroxymatairesinol with Antioxidant Properties and Enhanced Lipophilicity.
AID539847Antioxidant activity assessed as hydrogen peroxide radical scavenging activity after 10 mins by spectrophotometry relative to control2010Bioorganic & medicinal chemistry letters, Dec-15, Volume: 20, Issue:24
Synthesis, antimicrobial and antioxidant evaluation of quinolines and bis(indolyl)methanes.
AID626498Antioxidant activity assessed as superoxide anioin radical scavenging activity after 5 mins by spectrophotometric analysis2011Bioorganic & medicinal chemistry letters, Nov-15, Volume: 21, Issue:22
Synthesis and antioxidant activities of novel 4-Schiff base-7-benzyloxy-coumarin derivatives.
AID1412197Antioxidant activity assessed as DPPH free radical scavenging at 2.45 x 10'-6mol/L after 10 mins by UV-vis spectrophotometric analysis relative to control2018MedChemComm, Feb-01, Volume: 9, Issue:2
Antiproliferative activity of novel isatinyl/indanyl nitrones (INs) as potential spin trapping agents of free radical intermediates.
AID348892Antioxidant activity assessed as DPPH free radical scavenging activity after 20 mins2008Bioorganic & medicinal chemistry letters, Nov-01, Volume: 18, Issue:21
Synthesis and free radical scavenging activity of some new spiropyranocoumarins.
AID355950Antioxidant activity assessed as DPPH radical scavenging activity at 500 ug/mL2003Journal of natural products, May, Volume: 66, Issue:5
Two new xanthone derivatives from the algicolous marine fungus Wardomyces anomalus.
AID333731Antioxidant activity assessed as superoxide radical scavenging activity by NBT method2004Journal of natural products, Dec, Volume: 67, Issue:12
New acylated iridoid glucosides from Vitex altissima.
AID774815Antioxidant activity assessed as ferric ion reducing activity using ferric-TPTZ by measuring concentration of compound with antioxidant capacity equivalent to ferrous sulfate at 0.5 mmol/L by FRAP assay2013Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21
Synthesis and antioxidant activity of novel Mannich base of 1,3,4-oxadiazole derivatives possessing 1,4-benzodioxan.
AID196205Compound was tested for [Ca2+] overload inhibitory activity in the veratridine-induced [Ca2+] overload model of rat cardiac myocytes.1999Journal of medicinal chemistry, Aug-12, Volume: 42, Issue:16
Novel calcium antagonists with both calcium overload inhibition and antioxidant activity. 2. Structure-activity relationships of thiazolidinone derivatives.
AID750846Antioxidant activity assessed as hydroxyl radical scavenging activity after 15 mins by spectrophotometric analysis2013Journal of natural products, Jun-28, Volume: 76, Issue:6
Bioactive dimeric carbazole alkaloids from Murraya koenigii.
AID355892Antioxidant activity assessed as inhibition of peroxidation of linolenic acid at 7.4 ug/mL by TBARS assay2003Journal of natural products, May, Volume: 66, Issue:5
Two new xanthone derivatives from the algicolous marine fungus Wardomyces anomalus.
AID489317Antioxidant activity assessed as DPPH scavenging activity after 4 hrs by MTT assay2010Bioorganic & medicinal chemistry letters, Jul-15, Volume: 20, Issue:14
Synthesis and biological activity of halophenols as potent antioxidant and cytoprotective agents.
AID349462Antioxidant activity assessed as trolox equivalent of ABTS radical scavenging activity2008Bioorganic & medicinal chemistry, Oct-15, Volume: 16, Issue:20
Synthesis and recovery of high bioactive phenolics from table-olive brine process wastewater.
AID1412198Antioxidant activity assessed as DPPH free radical scavenging at 4 x 10'-6mol/L after 10 mins by UV-vis spectrophotometric analysis relative to control2018MedChemComm, Feb-01, Volume: 9, Issue:2
Antiproliferative activity of novel isatinyl/indanyl nitrones (INs) as potential spin trapping agents of free radical intermediates.
AID1276362Antitubercular activity against Mycobacterium tuberculosis H37Ra ATCC 25177 by XTT Reduction Menadione Assay2016Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue:2
Synthesis and bioactivity of novel triazole incorporated benzothiazinone derivatives as antitubercular and antioxidant agent.
AID422292Antioxidant activity against beta-carotene and linoleic acid assessed as inhibition of bleaching of beta-carotene2009Journal of natural products, Mar-27, Volume: 72, Issue:3
Antioxidant and anticholinesterase activity evaluation of ent-kaurane diterpenoids from Sideritis arguta.
AID1474952Antioxidant activity assessed as reduction in beta-carotene/linoleic acid bleaching activity at 2.5 mg/ml after 2 hrs by spectrophotometric method (Rvb = 1 to 8%)2017Bioorganic & medicinal chemistry letters, 06-01, Volume: 27, Issue:11
Stereoselective synthesis of enantiopure N-substituted pyrrolidin-2,5-dione derivatives by 1,3-dipolar cycloaddition and assessment of their in vitro antioxidant and antibacterial activities.
AID758228Antioxidant activity assessed as ABTS radical scavenging activity after 10 mins by spectrophotometric analysis2013Bioorganic & medicinal chemistry letters, Jul-15, Volume: 23, Issue:14
New bioactive dihydrofuranocoumarins from the roots of the Tunisian Ferula lutea (Poir.) Maire.
AID336271Antibacterial activity against Propionibacterium acnes ATCC 11827 after 2 days by broth dilution method in presence of 0.5 MIC of crinitol1992Journal of natural products, Jun, Volume: 55, Issue:6
Antibacterial activity of crinitol and its potentiation.
AID319045DPPH radical scavenging activity2008Journal of natural products, Jan, Volume: 71, Issue:1
Bromophenols from the marine red alga Polysiphonia urceolata with DPPH radical scavenging activity.
AID450085Antioxidant activity assessed as DPPH radical scavenging activity2009Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18
Antioxidant activity of 5,10-dihydroindeno[1,2-b]indoles containing substituents on dihydroindeno part.
AID1412200Antioxidant activity assessed as DPPH free radical scavenging at 9.10 x 10'-6mol/L after 10 mins by UV-vis spectrophotometric analysis relative to control2018MedChemComm, Feb-01, Volume: 9, Issue:2
Antiproliferative activity of novel isatinyl/indanyl nitrones (INs) as potential spin trapping agents of free radical intermediates.
AID416125Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate2009Bioorganic & medicinal chemistry, Apr-15, Volume: 17, Issue:8
Carbonic anhydrase inhibitors. Inhibition of human erythrocyte isozymes I and II with a series of antioxidant phenols.
AID356119Antioxidant activity assessed as inhibition of FeSO4-induced lipid peroxidation at 82 uM by TBARS assay2003Journal of natural products, Jul, Volume: 66, Issue:7
Antioxidative meroterpenoids from the brown alga Cystoseira crinita.
AID119557Antihypoxic effect by the survival time (SVT) in mice at a dose of 10 mg/kg administered intraperitoneally.1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 2. Synthesis and pharmacology of the 1-(acylamino)-7-hydroxyindan derivatives.
AID774817Antioxidant activity assessed as DPPH free radical scavenging activity after 30 mins by spectrophotometric analysis2013Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21
Synthesis and antioxidant activity of novel Mannich base of 1,3,4-oxadiazole derivatives possessing 1,4-benzodioxan.
AID356110Antioxidant activity assessed as DPPH radical scavenging activity at 23 uM after 30 mins2003Journal of natural products, Jul, Volume: 66, Issue:7
Antioxidative meroterpenoids from the brown alga Cystoseira crinita.
AID1202777Antioxidant activity assessed as trolox equivalent of ABTS radical scavenging activity after 10 mins by lipophilic-TEAC fluorescence assay2015Journal of natural products, Feb-27, Volume: 78, Issue:2
Antioxidative compounds from Garcinia buchananii stem bark.
AID678712Inhibition of human CYP1A2 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using ethoxyresorufin as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID119193Time of recovery of righting reflux (RRT) in seconds was measured after intraperitoneal administration of 10 mg/kg in mice for the promotional effect on recovery from coma.1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 2. Synthesis and pharmacology of the 1-(acylamino)-7-hydroxyindan derivatives.
AID1501903Antioxidant activity assessed as redox reaction between compound and MTT in DMSO measured after 6 hrs2017Journal of natural products, 09-22, Volume: 80, Issue:9
Lipid Peroxidation and Cyclooxygenase Enzyme Inhibitory Compounds from Prangos haussknechtii.
AID1168138Antioxidant activity assessed as inhibition of lipid peroxidation after 1 hr by TBARS assay2014European journal of medicinal chemistry, Nov-24, Volume: 87PASS-assisted design, synthesis and antioxidant evaluation of new butylated hydroxytoluene derivatives.
AID1268239Antioxidant activity assessed as DPPH free radical scavenging activity2016Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue:2
Synthesis of novel ethyl 1-ethyl-6-fluoro-7-(fatty amido)-1,4-dihydro-4-oxoquinoline-3-carboxylate derivatives and their biological evaluation.
AID450089Antioxidant activity assessed as hydrogen peroxide radical scavenging activity2009Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18
Antioxidant activity of 5,10-dihydroindeno[1,2-b]indoles containing substituents on dihydroindeno part.
AID416126Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate2009Bioorganic & medicinal chemistry, Apr-15, Volume: 17, Issue:8
Carbonic anhydrase inhibitors. Inhibition of human erythrocyte isozymes I and II with a series of antioxidant phenols.
AID736209Antiinflammatory activity in SKH2 mouse assessed as reduction in carrageenan-induced paw edema at 0.3 mmol/kg, ip after carrageenan challenge measured after 3.5 hrs relative to control2013Journal of medicinal chemistry, Apr-25, Volume: 56, Issue:8
New multifunctional Di-tert-butylphenoloctahydro(pyrido/benz)oxazine derivatives with antioxidant, antihyperlipidemic, and antidiabetic action.
AID356735Antioxidant activity against beta-carotene and linoleic acid assessed asbleaching of beta-carotene at 60 mins by autooxidation assay2001Journal of natural products, Jul, Volume: 64, Issue:7
Antioxidant principles from Bauhinia tarapotensis.
AID336950Antioxidant activity in rat liver microsomes assessed as inhibition of lipid peroxide formation after 30 mins
AID380375DPPH radical scavenging activity at 10 uM after 30 mins by spectrophotometric assay2000Journal of natural products, Jun, Volume: 63, Issue:6
Galloylglucosides from berries of Pimenta dioica.
AID619943Antioxidant activity assessed as ferric to ferrous reduction activity at 40 ug/ml by FRAP assay2011European journal of medicinal chemistry, Sep, Volume: 46, Issue:9
Isoeugenol-based novel potent antioxidants: synthesis and reactivity.
AID361387Antioxidant activity assessed as DPPH free radical scavenging activity at 50 ug/mL2002Journal of natural products, Nov, Volume: 65, Issue:11
New antioxidant hydroquinone derivatives from the algicolous marine fungus Acremonium sp.
AID360576Antioxidant activity assessed as inhibition of copper-induced human LDL oxidation1995Journal of natural products, Dec, Volume: 58, Issue:12
Synthesis and evaluation of 3',5'-di-tert-butyl-4'-hydroxyflavones as potential inhibitors of low density lipoprotein (LDL) oxidation.
AID1405935Antioxidant activity assessed as DPPH radical scavenging activity2018European journal of medicinal chemistry, Aug-05, Volume: 156Current progress on antioxidants incorporating the pyrazole core.
AID360933Antioxidant activity assessed as DPPH radical scavenging activity by spectrophotometric assay2001Journal of natural products, Jun, Volume: 64, Issue:6
Synthetic derivatives of abietic acid with radical scavenging activity.
AID1592328Antioxidant activity assessed as DPPH radical scavenging activity measured after 30 mins by spectrophotometric method2019European journal of medicinal chemistry, Apr-01, Volume: 167Efficient click chemistry towards novel 1H-1,2,3-triazole-tethered 4H-chromene-d-glucose conjugates: Design, synthesis and evaluation of in vitro antibacterial, MRSA and antifungal activities.
AID469265Antioxidant activity assessed as DPPH radical scavenging activity2009Journal of natural products, Oct, Volume: 72, Issue:10
Cytotoxic and antiplasmodial compounds from the roots of Strophioblachia fimbricalyx.
AID328025Antioxidant activity assessed as DPPH free radical scavenging activity after 30 mins2008Bioorganic & medicinal chemistry, Apr-15, Volume: 16, Issue:8
Synthesis and antioxidant properties of novel N-methyl-1,3,4-thiadiazol-2-amine and 4-methyl-2H-1,2,4-triazole-3(4H)-thione derivatives of benzimidazole class.
AID356120Antioxidant activity assessed as inhibition of FeSO4-induced lipid peroxidation at 164 uM by TBARS assay2003Journal of natural products, Jul, Volume: 66, Issue:7
Antioxidative meroterpenoids from the brown alga Cystoseira crinita.
AID336267Antibacterial activity against Bacillus subtilis ATCC 9372 after 2 days by broth dilution method in presence of 0.5 MIC of crinitol1992Journal of natural products, Jun, Volume: 55, Issue:6
Antibacterial activity of crinitol and its potentiation.
AID1076257Antioxidant activity assessed as NO radical scavenging activity after 150 mins by griess reagent method2014European journal of medicinal chemistry, Mar-21, Volume: 75Synthesis, docking and evaluation of antioxidant and antimicrobial activities of novel 1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-yl)selenopheno[2,3-d]pyrimidines.
AID349461Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins2008Bioorganic & medicinal chemistry, Oct-15, Volume: 16, Issue:20
Synthesis and recovery of high bioactive phenolics from table-olive brine process wastewater.
AID619933Antioxidant activity assessed as inhibition of linoleic acid lipid peroxidation at 100 ug/ml measured after 18 hrs by ferric thiocynate method2011European journal of medicinal chemistry, Sep, Volume: 46, Issue:9
Isoeugenol-based novel potent antioxidants: synthesis and reactivity.
AID624612Specific activity of expressed human recombinant UGT1A92000Annual review of pharmacology and toxicology, , Volume: 40Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID336268Antibacterial activity against Brevibacterium ammoniagenes ATCC 6872 after 2 days by broth dilution method in presence of 0.5 MIC of crinitol1992Journal of natural products, Jun, Volume: 55, Issue:6
Antibacterial activity of crinitol and its potentiation.
AID1197692Antioxidant activity assessed as DPPH radical scavenging activity at 10'-3 M incubated for 30 mins by spectrophotometry2015European journal of medicinal chemistry, Mar-06, Volume: 92Microwave-assisted synthesis of certain pyrrolylpyridines, some derived ring systems and their evaluation as anticancer and antioxidant agents.
AID1238056Antioxidant activity assessed as DPPH radical scavenging activity at 200 uM incubated for 30 mins under dark conditions2015Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16
Nitric oxide inhibitory activity and antioxidant evaluations of 2-benzoyl-6-benzylidenecyclohexanone analogs, a novel series of curcuminoid and diarylpentanoid derivatives.
AID1242106Antioxidant activity assessed as DPPH free radical scavenging activity2015European journal of medicinal chemistry, Aug-28, Volume: 101Understanding the chemistry behind the antioxidant activities of butylated hydroxytoluene (BHT): a review.
AID356109Antioxidant activity assessed as DPPH radical scavenging activity at 12 uM after 30 mins2003Journal of natural products, Jul, Volume: 66, Issue:7
Antioxidative meroterpenoids from the brown alga Cystoseira crinita.
AID626499Antioxidant activity assessed as hydroxyl radical scavenging activity after 1 hr by spectrophotometric analysis2011Bioorganic & medicinal chemistry letters, Nov-15, Volume: 21, Issue:22
Synthesis and antioxidant activities of novel 4-Schiff base-7-benzyloxy-coumarin derivatives.
AID145972Inhibitory concentration tested against neuronal nitric oxide synthase (nNOS ) from rat cerebellum; Not active2003Bioorganic & medicinal chemistry letters, Jan-20, Volume: 13, Issue:2
Novel inhibitors of neuronal nitric oxide synthase with potent antioxidant properties.
AID44493Protection against C6 glial cell death induced by maitotoxin at 100 uM concentration2004Bioorganic & medicinal chemistry letters, Jul-16, Volume: 14, Issue:14
Novel dual inhibitors of calpain and lipid peroxidation.
AID356117Antioxidant activity assessed as inhibition of FeSO4-induced lipid peroxidation at 16 uM by TBARS assay2003Journal of natural products, Jul, Volume: 66, Issue:7
Antioxidative meroterpenoids from the brown alga Cystoseira crinita.
AID312786Inhibition of NADH-induced lipid peroxidation in rat brain microsome2008Journal of medicinal chemistry, Feb-14, Volume: 51, Issue:3
Synthesis and evaluation of 2'-hydroxyethyl trans-apovincaminate derivatives as antioxidant and cognitive enhancer agents.
AID328027Antioxidant activity in albino Wistar rat liver microsomes assessed as inhibition of NADPH-dependent lipid peroxidation at 1000 uM2008Bioorganic & medicinal chemistry, Apr-15, Volume: 16, Issue:8
Synthesis and antioxidant properties of novel N-methyl-1,3,4-thiadiazol-2-amine and 4-methyl-2H-1,2,4-triazole-3(4H)-thione derivatives of benzimidazole class.
AID1064281Antioxidant activity assessed as EDTA equivalent of chelating effect after 10 mins by spectrophotometric analysis2014Journal of natural products, Jan-24, Volume: 77, Issue:1
Natural occurrence of organofluorine and other constituents from Streptomyces sp. TC1.
AID333984Antioxidant activity in Wistar rat brain homogenate assessed as inhibition of Fe2+-induced TBARS formation at 100 uM by lipid peroxidation assay1997Journal of natural products, Oct, Volume: 60, Issue:10
Bioactive constituents of Morus australis and Broussonetia papyrifera.
AID1202778Antioxidant activity assessed as H2O2 scavenging activity after 15 mins2015Journal of natural products, Feb-27, Volume: 78, Issue:2
Antioxidative compounds from Garcinia buchananii stem bark.
AID262310Inhibition of ferrous induced lipid peroxidation in rat brain microsomes2006Bioorganic & medicinal chemistry letters, Mar-15, Volume: 16, Issue:6
Novel dual inhibitors of calpain and lipid peroxidation with enhanced cellular activity.
AID1064280Antioxidant activity assessed as DPPH radical scavenging activity2014Journal of natural products, Jan-24, Volume: 77, Issue:1
Natural occurrence of organofluorine and other constituents from Streptomyces sp. TC1.
AID1474947Antioxidant activity assessed as DPPH free radical scavenging activity at 3 mg/ml incubated for 20 mins in dark (Rvb = 1 to 9%)2017Bioorganic & medicinal chemistry letters, 06-01, Volume: 27, Issue:11
Stereoselective synthesis of enantiopure N-substituted pyrrolidin-2,5-dione derivatives by 1,3-dipolar cycloaddition and assessment of their in vitro antioxidant and antibacterial activities.
AID1238055Antioxidant activity assessed as nitric oxide radical scavenging activity at 500 uM incubated for 60 mins with light exposure at room temperature by Griess assay2015Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16
Nitric oxide inhibitory activity and antioxidant evaluations of 2-benzoyl-6-benzylidenecyclohexanone analogs, a novel series of curcuminoid and diarylpentanoid derivatives.
AID678713Inhibition of human CYP2C9 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID1055052Antioxidant activity assessed as ABTS free radical scavenging activity after 3 mins by spectrophotometry2013Bioorganic & medicinal chemistry letters, Dec-01, Volume: 23, Issue:23
Facile preparation of tetrahydro-5H-pyrido[1,2,3-de]-1,4-benzoxazines via reductive cyclization of 2-(8-quinolinyloxy)ethanones and their antioxidant activity.
AID335393Antibacterial activity against Brevibacterium ammoniagenes ATCC 6872 after 2 days by broth dilution method1992Journal of natural products, Jun, Volume: 55, Issue:6
Antibacterial activity of crinitol and its potentiation.
AID46337Inhibitory activity against on calpain in C6 glial cells; Not active2004Bioorganic & medicinal chemistry letters, Jul-16, Volume: 14, Issue:14
Novel dual inhibitors of calpain and lipid peroxidation.
AID491006Antioxidant activity assessed as increase in reducing power at 100 uM2010European journal of medicinal chemistry, Jul, Volume: 45, Issue:7
Synthesis and bioassay of pyrrolyl oxazolines and thiazolines.
AID1335317Antioxidant activity assessed as cupric reducing capacity after 1 hr by spectrophotometric analysis2016European journal of medicinal chemistry, Nov-29, Volume: 124New piperidine-hydrazone derivatives: Synthesis, biological evaluations and molecular docking studies as AChE and BChE inhibitors.
AID114280Hypnotic activity was measured as dose which causes loss of righting reflex for a minimum period of 30s in 50% of mice; Range is 80-1001980Journal of medicinal chemistry, Dec, Volume: 23, Issue:12
Synthesis, biological evaluation, and preliminary structure-activity considerations of a series of alkylphenols as intravenous anesthetic agents.
AID228894Effect to inhibit MPTP mediated dopamine loss was determined in rodent; ND=No data2004Bioorganic & medicinal chemistry letters, Jan-05, Volume: 14, Issue:1
Phenolic thiazoles as novel orally-active neuroprotective agents.
AID1202776Antioxidant activity assessed as trolox equivalent of ABTS radical scavenging activity after 10 mins by hydrophilic-TEAC fluorescence assay2015Journal of natural products, Feb-27, Volume: 78, Issue:2
Antioxidative compounds from Garcinia buchananii stem bark.
AID179221Compound was tested for its inhibitory activity against lipid peroxidation in rat brain homogenates.2002Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22
Prodrug and covalent linker strategies for the solubilization of dual-action antioxidants/iron chelators.
AID1163974Antioxidant activity assessed as DPPH scavenging activity after 30 mins by spectrophotometry2014European journal of medicinal chemistry, Oct-30, Volume: 86Anti-tyrosinase, antioxidant, and antibacterial activities of novel 5-hydroxy-4-acetyl-2,3-dihydronaphtho[1,2-b]furans.
AID750849Metal chelating activity of the compound after 10 mins by spectrophotometric analysis2013Journal of natural products, Jun-28, Volume: 76, Issue:6
Bioactive dimeric carbazole alkaloids from Murraya koenigii.
AID387797Toxicity against human HL-60 cells at 100 uM after 24 hrs by trypan blue exclusion assay2008Bioorganic & medicinal chemistry letters, Oct-01, Volume: 18, Issue:19
2,2'-Pyridoin derivatives protect HL-60 cells against oxidative stress.
AID592361Antioxidant activity assessed as DPPH free radical scavenging activity after 30 mins in dark by spectrophotometry2011Journal of natural products, Mar-25, Volume: 74, Issue:3
An unprecedented neolignan skeleton from Chimarrhis turbinata.
AID675283Free radical scavenging activity assessed as inhibition of DPPH radical generation at 100 ug2012European journal of medicinal chemistry, Sep, Volume: 55Synthesis, characterization and pharmacological study of 4,5-dihydropyrazolines carrying pyrimidine moiety.
AID119553Antihypoxic effect by the survival time (SVT) in mice at a dose of 100 mg/kg administered intraperitoneally.1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 2. Synthesis and pharmacology of the 1-(acylamino)-7-hydroxyindan derivatives.
AID1076256Antioxidant activity assessed as H2O2 radical scavenging activity2014European journal of medicinal chemistry, Mar-21, Volume: 75Synthesis, docking and evaluation of antioxidant and antimicrobial activities of novel 1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-yl)selenopheno[2,3-d]pyrimidines.
AID248526Tested for inhibition of ferrous salt/ascorbate induced lipidic peroxidation of membrane lipid of rat hepatocytes2004Bioorganic & medicinal chemistry letters, Dec-20, Volume: 14, Issue:24
Development of a new class of potential antiatherosclerosis agents: NO-donor antioxidants.
AID666940Antioxidant activity assessed as DPPH radical scavenging activity a 50 ug/ml after 30 mins by spectrophotometry2012Bioorganic & medicinal chemistry letters, Jul-01, Volume: 22, Issue:13
Evaluation of novel antioxidant triterpenoid saponins from the halophyte Salicornia herbacea.
AID489318Cytoprotective activity against H2O2-induced cell injury in HUVEC cells2010Bioorganic & medicinal chemistry letters, Jul-15, Volume: 20, Issue:14
Synthesis and biological activity of halophenols as potent antioxidant and cytoprotective agents.
AID1228618Antioxidant activity assessed as DPPH radical-scavenging activity incubated for 30 mins by spectrophotometry2015Journal of natural products, May-22, Volume: 78, Issue:5
Anti-inflammatory Hydrolyzable Tannins from Myricaria bracteata.
AID619934Antioxidant activity assessed as inhibition of linoleic acid lipid peroxidation at 100 ug/ml measured after 24 hrs by ferric thiocynate method2011European journal of medicinal chemistry, Sep, Volume: 46, Issue:9
Isoeugenol-based novel potent antioxidants: synthesis and reactivity.
AID675284Free radical scavenging activity assessed as inhibition of hydroxyl radical generation at 100 ug by Fenton reaction method2012European journal of medicinal chemistry, Sep, Volume: 55Synthesis, characterization and pharmacological study of 4,5-dihydropyrazolines carrying pyrimidine moiety.
AID538396Antioxidant activity assessed as ferric ion reducing ability by spectrophotometric analysis2010Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23
Synthesis, antioxidant and toxicological study of novel pyrimido quinoline derivatives from 4-hydroxy-3-acyl quinolin-2-one.
AID119258Time of recovery of spontaneous movement (SMT) in seconds was measured after administration of 100 mg/kg orally in mice for the promotional effect on recovery from coma1991Journal of medicinal chemistry, Jul, Volume: 34, Issue:7
Novel cerebroprotective agents with central nervous system stimulating activity. 1. Synthesis and pharmacology of 1-amino-7-hydroxyindan derivatives.
AID539846Antioxidant activity assessed as hydrogen peroxide radical scavenging activity by spectrophotometry relative to control2010Bioorganic & medicinal chemistry letters, Dec-15, Volume: 20, Issue:24
Synthesis, antimicrobial and antioxidant evaluation of quinolines and bis(indolyl)methanes.
AID333976Antiplatelet activity against rabbit platelet assessed as inhibition of platelet-activating factor-induced platelet aggregation at 20 uM preincubated 3 mins before PAF challenge by turbidimetric method relative to control1997Journal of natural products, Oct, Volume: 60, Issue:10
Bioactive constituents of Morus australis and Broussonetia papyrifera.
AID1474944Antioxidant activity assessed as DPPH free radical scavenging activity at 1 mg/ml incubated for 20 mins in dark (Rvb = 1 to 9%)2017Bioorganic & medicinal chemistry letters, 06-01, Volume: 27, Issue:11
Stereoselective synthesis of enantiopure N-substituted pyrrolidin-2,5-dione derivatives by 1,3-dipolar cycloaddition and assessment of their in vitro antioxidant and antibacterial activities.
AID538397Antioxidant activity assessed as EDTA chelating effect after 10 mins by spectrophotometric analysis2010Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23
Synthesis, antioxidant and toxicological study of novel pyrimido quinoline derivatives from 4-hydroxy-3-acyl quinolin-2-one.
AID168363Superoxide dismutase activity measured as inhibition of Cytochrome C reduction by 50% in isolated rat heart muscle subjected to global ischemia2001Bioorganic & medicinal chemistry letters, Jan-08, Volume: 11, Issue:1
Beneficial effects of different flavonoids, on functional recovery after ischemia and reperfusion in isolated rat heart.
AID274759Antioxidant activity assessed by DPPH radical scavenging assay2007Journal of natural products, Jan, Volume: 70, Issue:1
Bioactive bibenzyl derivatives and fluorenones from Dendrobium nobile.
AID380372DPPH radical scavenging activity at 80 uM after 30 mins by spectrophotometric assay2000Journal of natural products, Jun, Volume: 63, Issue:6
Galloylglucosides from berries of Pimenta dioica.
AID767446Antioxidant activity assessed as ABTS free radical scavenging activity after 1 min2013European journal of medicinal chemistry, Sep, Volume: 67Regioselective synthesis of phenanthrenes and evaluation of their anti-oxidant based anti-inflammatory potential.
AID378799ABTS radical scavenging activity assessed as Trolox equivalent antioxidant capacity index2006Journal of natural products, Sep, Volume: 69, Issue:9
Phenolic glycosides with antioxidant activity from the stem bark of Populus davidiana.
AID1377035Antioxidant activity assessed as DPPH radical scavenging activity at test compound/DPPH volume ratio 1:1 after 1 hr by UV-spectrophotometric method2017Journal of natural products, 06-23, Volume: 80, Issue:6
Derivatives of the Lignan 7'-Hydroxymatairesinol with Antioxidant Properties and Enhanced Lipophilicity.
AID335392Antibacterial activity against Bacillus subtilis ATCC 9372 after 2 days by broth dilution method1992Journal of natural products, Jun, Volume: 55, Issue:6
Antibacterial activity of crinitol and its potentiation.
AID539849Antioxidant activity assessed as hydrogen peroxide radical scavenging activity after 30 mins by spectrophotometry relative to control2010Bioorganic & medicinal chemistry letters, Dec-15, Volume: 20, Issue:24
Synthesis, antimicrobial and antioxidant evaluation of quinolines and bis(indolyl)methanes.
AID1407181Antioxidant activity assessed as DPPH radical scavenging activity measured after 30 mins incubation in dark by UV-Visible spectrophotometric analysis2018European journal of medicinal chemistry, Sep-05, Volume: 157Donepezil-butylated hydroxytoluene (BHT) hybrids as Anti-Alzheimer's disease agents with cholinergic, antioxidant, and neuroprotective properties.
AID666938Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins by spectrophotometry2012Bioorganic & medicinal chemistry letters, Jul-01, Volume: 22, Issue:13
Evaluation of novel antioxidant triterpenoid saponins from the halophyte Salicornia herbacea.
AID538399Antioxidant activity assessed as nitric oxide scavenging activity after 150 mins by spectrophotometric analysis2010Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23
Synthesis, antioxidant and toxicological study of novel pyrimido quinoline derivatives from 4-hydroxy-3-acyl quinolin-2-one.
AID619940Antioxidant activity assessed as ferric to ferrous reduction at 10 ug/ml by FRAP assay2011European journal of medicinal chemistry, Sep, Volume: 46, Issue:9
Isoeugenol-based novel potent antioxidants: synthesis and reactivity.
AID336279Ratio of MIC for Streptococcus mutans ATCC 25175 to MIC for Streptococcus mutans ATCC 25175 in presence of 0.5 MIC of crinitol1992Journal of natural products, Jun, Volume: 55, Issue:6
Antibacterial activity of crinitol and its potentiation.
AID1412201Antioxidant activity assessed as DPPH free radical scavenging after 10 mins by UV-vis spectrophotometric analysis2018MedChemComm, Feb-01, Volume: 9, Issue:2
Antiproliferative activity of novel isatinyl/indanyl nitrones (INs) as potential spin trapping agents of free radical intermediates.
AID170013Effect of compound on Glutathione peroxidase measured as disappearance of NADPH in isolated rat heart muscle subjected to global ischemia2001Bioorganic & medicinal chemistry letters, Jan-08, Volume: 11, Issue:1
Beneficial effects of different flavonoids, on functional recovery after ischemia and reperfusion in isolated rat heart.
AID1335314Antioxidant activity assessed as inhibition of beta carotene/ linoleic acid peroxidation after 120 mins by spectrophotometric analysis2016European journal of medicinal chemistry, Nov-29, Volume: 124New piperidine-hydrazone derivatives: Synthesis, biological evaluations and molecular docking studies as AChE and BChE inhibitors.
AID170014Effect of compound on catalase measured as disappearance of H2O2 in isolated rat heart muscle subjected to global ischemia2001Bioorganic & medicinal chemistry letters, Jan-08, Volume: 11, Issue:1
Beneficial effects of different flavonoids, on functional recovery after ischemia and reperfusion in isolated rat heart.
AID619936Antioxidant activity assessed as inhibition of linoleic acid lipid peroxidation at 100 ug/ml measured after 36 hrs by ferric thiocynate method2011European journal of medicinal chemistry, Sep, Volume: 46, Issue:9
Isoeugenol-based novel potent antioxidants: synthesis and reactivity.
AID1506751Antioxidant activity assessed as DPPH radical scavenging activity at 0.5 mM measured at 21.33 +/- 0.6 mins2017MedChemComm, Feb-01, Volume: 8, Issue:2
Synthesis, antioxidant and antitumoral activities of 5'-arylchalcogeno-3-aminothymidine (ACAT) derivatives.
AID1320279Antioxidant activity assessed as DPPH radical scavenging activity at 0.5 mM incubated for 40 mins in dark condition2016Bioorganic & medicinal chemistry letters, 10-15, Volume: 26, Issue:20
A diastereoselective synthesis of tetrahydro- and dihydro-pyrido[2,3-c]coumarin derivatives via a one-pot three-component Povarov reaction catalyzed by bismuth(III) chloride.
AID361384Antioxidant activity assessed as inhibition of linolenic acid peroxidation at 37 ug/mL by TBARS assay2002Journal of natural products, Nov, Volume: 65, Issue:11
New antioxidant hydroquinone derivatives from the algicolous marine fungus Acremonium sp.
AID1474942Antioxidant activity assessed as DPPH free radical scavenging activity incubated for 20 mins in dark2017Bioorganic & medicinal chemistry letters, 06-01, Volume: 27, Issue:11
Stereoselective synthesis of enantiopure N-substituted pyrrolidin-2,5-dione derivatives by 1,3-dipolar cycloaddition and assessment of their in vitro antioxidant and antibacterial activities.
AID675286Free radical scavenging activity assessed as inhibition of nitric oxide generation at 100 ug2012European journal of medicinal chemistry, Sep, Volume: 55Synthesis, characterization and pharmacological study of 4,5-dihydropyrazolines carrying pyrimidine moiety.
AID626497Antioxidant activity assessed as ABTS radical scavenging activity after 3 mins by spectrophotometric analysis2011Bioorganic & medicinal chemistry letters, Nov-15, Volume: 21, Issue:22
Synthesis and antioxidant activities of novel 4-Schiff base-7-benzyloxy-coumarin derivatives.
AID675285Free radical scavenging activity assessed as inhibition of superoxide anion generation at 100 ug2012European journal of medicinal chemistry, Sep, Volume: 55Synthesis, characterization and pharmacological study of 4,5-dihydropyrazolines carrying pyrimidine moiety.
AID1439817Antioxidant activity assessed as assessed as ferric ion reducing activity by measuring absorbance at 700 nm at 60 ug/ml after 20 mins by spectrophotometric method2017Bioorganic & medicinal chemistry letters, 04-01, Volume: 27, Issue:7
Biologically active perspective synthesis of heteroannulated 8-nitroquinolines with green chemistry approach.
AID262005DPPH radical scavenging activity at 0.125 g/L2006Bioorganic & medicinal chemistry letters, Mar-01, Volume: 16, Issue:5
Evaluation of the antioxidant properties of diarylamines in the benzo[b]thiophene series by free radical scavenging activity and reducing power.
AID289268Reduction of DPPH radical activity at 0.1 mM after 60 mins2007Bioorganic & medicinal chemistry, Sep-01, Volume: 15, Issue:17
Synthesis and pharmacochemical evaluation of novel aryl-acetic acid inhibitors of lipoxygenase, antioxidants, and anti-inflammatory agents.
AID182346Compound was tested for antioxidative activity using TBA method at a concentration of 200 ug/mL.1998Bioorganic & medicinal chemistry letters, Nov-03, Volume: 8, Issue:21
Hepatoprotective, superoxide scavenging, and antioxidative activities of aromatic constituents from the bark of Betula platyphylla var. japonica.
AID195017LPO-lowering activity was estimated by the IC50 value of compound in rat liver microsomal lipid peroxidation1990Journal of medicinal chemistry, May, Volume: 33, Issue:5
Studies on hindered phenols and analogues. 2. 1,3-Benzoxathioles having SRS-A inhibiting activity.
AID1335316Antioxidant activity assessed as ABTS radical scavenging activity by spectrophotometric analysis2016European journal of medicinal chemistry, Nov-29, Volume: 124New piperidine-hydrazone derivatives: Synthesis, biological evaluations and molecular docking studies as AChE and BChE inhibitors.
AID376417Antioxidation activity assessed as inhibition of peroxidation of liposome at 2.20 ug/mL1999Journal of natural products, Nov, Volume: 62, Issue:11
Phenolic glycosides from Dirca palustris.
AID470187Antioxidant activity assessed as DPPH radical scavenging activity at 300 uM after 48 hrs by spectrophotometry2009Journal of natural products, Nov, Volume: 72, Issue:11
Indole derivatives from a marine sponge-derived yeast as DPPH radical scavengers.
AID1320280Antioxidant activity assessed as DPPH radical scavenging activity at 1 mM incubated for 40 mins in dark condition2016Bioorganic & medicinal chemistry letters, 10-15, Volume: 26, Issue:20
A diastereoselective synthesis of tetrahydro- and dihydro-pyrido[2,3-c]coumarin derivatives via a one-pot three-component Povarov reaction catalyzed by bismuth(III) chloride.
AID566093Antioxidant activity assessed as DPPH radical scavenging activity at 0.05 mM after 60 mins2011European journal of medicinal chemistry, Jan, Volume: 46, Issue:1
One-pot microwave assisted synthesis under green chemistry conditions, antioxidant screening, and cytotoxicity assessments of benzimidazole Schiff bases and pyrimido[1,2-a]benzimidazol-3(4H)-ones.
AID450086Antioxidant activity assessed as ABTS radical scavenging activity2009Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18
Antioxidant activity of 5,10-dihydroindeno[1,2-b]indoles containing substituents on dihydroindeno part.
AID1168137Antioxidant activity assessed as DPPH free radical scavenging activity at 100 uM after 60 mins by spectrophotometry2014European journal of medicinal chemistry, Nov-24, Volume: 87PASS-assisted design, synthesis and antioxidant evaluation of new butylated hydroxytoluene derivatives.
AID1424254Antioxidant activity assessed as effect on linolenic acid autooxidation in presence of DLPC liposomes2017European journal of medicinal chemistry, Jun-16, Volume: 133Free radicals and polyphenols: The redox chemistry of neurodegenerative diseases.
AID1610413Antioxidant activity assessed as DPPH radical scavenging activity incubated for 30 mins under dark condition by Uv-vis spectrophotometric method2019European journal of medicinal chemistry, Dec-15, Volume: 184Benzo[b]thiophene-thiazoles as potent anti-Toxoplasma gondii agents: Design, synthesis, tyrosinase/tyrosine hydroxylase inhibitors, molecular docking study, and antioxidant activity.
AID678722Covalent binding affinity to human liver microsomes assessed per mg of protein at 10 uM after 60 mins presence of NADPH2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID1439818Antioxidant activity assessed as assessed as ferric ion reducing activity by measuring absorbance at 700 nm at 100 ug/ml after 20 mins by spectrophotometric method2017Bioorganic & medicinal chemistry letters, 04-01, Volume: 27, Issue:7
Biologically active perspective synthesis of heteroannulated 8-nitroquinolines with green chemistry approach.
AID750848Antioxidant activity assessed as DPPH free radical scavenging activity by spectrophotometric analysis2013Journal of natural products, Jun-28, Volume: 76, Issue:6
Bioactive dimeric carbazole alkaloids from Murraya koenigii.
AID1474945Antioxidant activity assessed as DPPH free radical scavenging activity at 2 mg/ml incubated for 20 mins in dark (Rvb = 1 to 9%)2017Bioorganic & medicinal chemistry letters, 06-01, Volume: 27, Issue:11
Stereoselective synthesis of enantiopure N-substituted pyrrolidin-2,5-dione derivatives by 1,3-dipolar cycloaddition and assessment of their in vitro antioxidant and antibacterial activities.
AID1659541Antioxidant activity assessed as half life of DPPH radical scavenging activity at 500 uM for 180 mins measured every 30 mins relative to control2020Bioorganic & medicinal chemistry, 05-01, Volume: 28, Issue:9
Synthesis and biological evaluation of new antioxidant and antiproliferative chalcogenobiotin derivatives for bladder carcinoma treatment.
AID262002DPPH radical scavenging activity at 0.0156 g/L2006Bioorganic & medicinal chemistry letters, Mar-01, Volume: 16, Issue:5
Evaluation of the antioxidant properties of diarylamines in the benzo[b]thiophene series by free radical scavenging activity and reducing power.
AID301309DPPH radical scavenging activity relative to control2007Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21
Natural bromophenols from the marine red alga Polysiphonia urceolata (Rhodomelaceae): structural elucidation and DPPH radical-scavenging activity.
AID1272818Antileishmanial activity against promastigotes of Leishmania donovani MHOM/IN/80/DD8 after 72 hrs by MTT assay2016Bioorganic & medicinal chemistry letters, Feb-01, Volume: 26, Issue:3
Antileishmanial activity of novel indolyl-coumarin hybrids: Design, synthesis, biological evaluation, molecular docking study and in silico ADME prediction.
AID619939Antioxidant activity assessed as superoxide radical scavenging activity after 40 mins by Zhishen's method2011European journal of medicinal chemistry, Sep, Volume: 46, Issue:9
Isoeugenol-based novel potent antioxidants: synthesis and reactivity.
AID590194Antioxidant activity assessed as DPPH radical scavenging activity by spectrophotometry2011Bioorganic & medicinal chemistry letters, Apr-01, Volume: 21, Issue:7
Synthesis and structure-activity relationships of phenylpropanoid amides of serotonin on tyrosinase inhibition.
AID292316DPPH radical scavenging activity2007Journal of natural products, Jul, Volume: 70, Issue:7
Highly brominated mono- and bis-phenols from the marine red alga Symphyocladia latiuscula with radical-scavenging activity.
AID619942Antioxidant activity assessed as ferric to ferrous reduction at 30 ug/ml by FRAP assay2011European journal of medicinal chemistry, Sep, Volume: 46, Issue:9
Isoeugenol-based novel potent antioxidants: synthesis and reactivity.
AID377968Antioxidant activity against Fe2+-induced lipid peroxidation at 20 uM by fluorescence spectroscopy1999Journal of natural products, Jan, Volume: 62, Issue:1
Novel antioxidant compounds from tart cherries (Prunus cerasus).
AID402313Antioxidant activity assessed as DPPH radical scavenging activity by TLC autographic assay2005Journal of natural products, Jun, Volume: 68, Issue:6
Constituents of the leaves of Macaranga tanarius.
AID356116Antioxidant activity assessed as inhibition of FeSO4-induced lipid peroxidation at 8 uM by TBARS assay2003Journal of natural products, Jul, Volume: 66, Issue:7
Antioxidative meroterpenoids from the brown alga Cystoseira crinita.
AID282834Activity against caspase-mediated apoptosis in mouse L1210 cells2005Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23
Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.
AID619941Antioxidant activity assessed as ferric to ferrous reduction at 20 ug/ml by FRAP assay2011European journal of medicinal chemistry, Sep, Volume: 46, Issue:9
Isoeugenol-based novel potent antioxidants: synthesis and reactivity.
AID1659538Antioxidant activity assessed as half life of GPx-like activity to decompose hydrogen peroxide at 450 uM measured for 20 mins by spectrophotometer method2020Bioorganic & medicinal chemistry, 05-01, Volume: 28, Issue:9
Synthesis and biological evaluation of new antioxidant and antiproliferative chalcogenobiotin derivatives for bladder carcinoma treatment.
AID195548Compound was tested for 50% Inhibition of lipid peroxidation in rat brain homogenate2000Journal of medicinal chemistry, Jul-27, Volume: 43, Issue:15
3,5-Disubstituted-4-hydroxyphenyls linked to 3-hydroxy-2-methyl-4(1H)-pyridinone: potent inhibitors of lipid peroxidation and cell toxicity.
AID355895Antioxidant activity assessed as DPPH radical scavenging activity at 50 ug/mL2003Journal of natural products, May, Volume: 66, Issue:5
Two new xanthone derivatives from the algicolous marine fungus Wardomyces anomalus.
AID104150Antioxidant action tested in AAPH-induced malondialdehyde (MDA) of liposomes after 60 min1999Journal of medicinal chemistry, Jun-03, Volume: 42, Issue:11
1-Benzopyran-4-one antioxidants as aldose reductase inhibitors.
AID1525239Antioxidant activity in Wistar rat brain homogenate assessed as inhibition of FeCl2-induced lipid peroxidation by measuring reduction in TBARS level preincubated for 30 mins followed by FeCl2/ascorbic acid addition and measured after 1 hr2019Journal of natural products, 05-24, Volume: 82, Issue:5
Structure and Absolute Configuration of Abietane Diterpenoids from Salvia clinopodioides: Antioxidant, Antiprotozoal, and Antipropulsive Activities.
AID1320281Antioxidant activity assessed as DPPH radical scavenging activity at 2 mM incubated for 40 mins in dark condition2016Bioorganic & medicinal chemistry letters, 10-15, Volume: 26, Issue:20
A diastereoselective synthesis of tetrahydro- and dihydro-pyrido[2,3-c]coumarin derivatives via a one-pot three-component Povarov reaction catalyzed by bismuth(III) chloride.
AID1322223Metal chelating activity assessed as compound-Fe2+ complex formation after 10 mins by UV-Vis spectrophotometer2016Bioorganic & medicinal chemistry, 11-15, Volume: 24, Issue:22
Synthesis and evaluation of dihydropyrimidinone-derived selenoesters as multi-targeted directed compounds against Alzheimer's disease.
AID353028Antioxidant activity assessed as inhibition of phenazine methosulphate-NADH coupling reaction-induced superoxide anion production at 60 ug/ml2009European journal of medicinal chemistry, Mar, Volume: 44, Issue:3
Synthesis of novel benzo[h]quinolines: wound healing, antibacterial, DNA binding and in vitro antioxidant activity.
AID246424Effective concentration required for scavenging of superoxide anion radical generation from the tentical protein of jellyfish2005Bioorganic & medicinal chemistry letters, May-16, Volume: 15, Issue:10
Radical scavenging activity of protein from tentacles of jellyfish Rhopilema esculentum.
AID1501904Antioxidant activity assessed as inhibition of ferrous chloride-induced lipid peroxidation in DHA-PA labelled SLPC large unilamellar vesicle measured over 21 mins by fluorescence assay2017Journal of natural products, 09-22, Volume: 80, Issue:9
Lipid Peroxidation and Cyclooxygenase Enzyme Inhibitory Compounds from Prangos haussknechtii.
AID678716Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using diethoxyfluorescein as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID356113Antioxidant activity assessed as DPPH radical scavenging activity at 230 uM after 30 mins2003Journal of natural products, Jul, Volume: 66, Issue:7
Antioxidative meroterpenoids from the brown alga Cystoseira crinita.
AID355893Antioxidant activity assessed as inhibition of peroxidation of linolenic acid at 37 ug/mL by TBARS assay2003Journal of natural products, May, Volume: 66, Issue:5
Two new xanthone derivatives from the algicolous marine fungus Wardomyces anomalus.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347424RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID1159550Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening2015Nature cell biology, Nov, Volume: 17, Issue:11
6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (154)

TimeframeStudies, This Drug (%)All Drugs %
pre-19904 (2.60)18.7374
1990's17 (11.04)18.2507
2000's47 (30.52)29.6817
2010's76 (49.35)24.3611
2020's10 (6.49)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 102.67

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be very strong demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index102.67 (24.57)
Research Supply Index5.05 (2.92)
Research Growth Index5.24 (4.65)
Search Engine Demand Index183.79 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (102.67)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews9 (5.81%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other146 (94.19%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (3)

Trial Overview

TrialPhaseEnrollmentStudy TypeStart DateStatus
Serial Lung Function Measurements in 12 Healthy and 48 Mild Asthmatic Adults After Oral Inhalation of Ethanolic Solutions Containing Two Concentrations of the Excipient Butylated Hydroxytoluene (BHT, 0.1% and 0.5%) Administered With the Respimat® B (RMT-B [NCT02220673]Phase 161 participants (Actual)Interventional2009-11-30Completed
A Randomized, Blinded, Placebo Controlled, Safety and Pharmacodynamic Study of BHT-3021 With Open Label Cross-Over in Subjects With Type I Diabetes Mellitus [NCT00453375]Phase 180 participants (Actual)Interventional2006-10-31Completed
BHT-3009 Immunotherapy in Relapsing Remitting Multiple Sclerosis [NCT00382629]Phase 2252 participants Interventional2006-02-28Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
ethylene dichloride
ethylene dichloride: RN given refers to 1,2-isomer; structure given in first source. 1,2-dichloroethane : A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2.		2.4620chloroethaneshepatotoxic agent;
mutagen;
non-polar solvent
protocatechuic acid
protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4.		3.8630catechols;
dihydroxybenzoic acid		antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite
4-hydroxybenzaldehyde
[no description available]		2.0210hydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite
4-hydroxybenzoic acid
4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.		4.5840monohydroxybenzoic acidalgal metabolite;
plant metabolite
ethylene glycol
Ethylene Glycol: A colorless, odorless, viscous dihydroxy alcohol. It has a sweet taste, but is poisonous if ingested. Ethylene glycol is the most important glycol commercially available and is manufactured on a large scale in the United States. It is used as an antifreeze and coolant, in hydraulic fluids, and in the manufacture of low-freezing dynamites and resins.. ethanediol : Any diol that is ethane or substituted ethane carrying two hydroxy groups.. ethylene glycol : A 1,2-glycol compound produced via reaction of ethylene oxide with water.		2.4620ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.		3.5320benzoic acidsalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
benzyl alcohol
Benzyl Alcohol: A colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with LIDOCAINE injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring.. hydroxytoluene : Any member of the class of toluenes carrying one or more hydroxy substituents.. benzyl alcohol : An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent.. aromatic alcohol : Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.. aromatic primary alcohol : Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.		3.110benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
butyric acid
Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.. butyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.. butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.		3.110fatty acid 4:0;
straight-chain saturated fatty acid		human urinary metabolite;
Mycoplasma genitalium metabolite
catechol
[no description available]		2.0210catecholsallelochemical;
genotoxin;
plant metabolite
citric acid, anhydrous
Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.. citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.		3.6520tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
coumarin
2H-chromen-2-one: coumarin derivative		2.0710coumarinsfluorescent dye;
human metabolite;
plant metabolite
2-cresol
2-cresol: RN given refers to parent cpd. o-cresol : A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene.		2.0210cresolhuman xenobiotic metabolite
salicylic acid
Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).		4.0620monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
3-methylcatechol
3-methylbenzene-1,2-diol: structure in first source. dihydroxytoluene : Any hydroxytoluene that has two hydroxy substituents. 3-methylcatechol : A methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples.		2.0510methylcatecholbacterial xenobiotic metabolite
3-cresol
3-cresol: RN given refers to parent cpd. m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene.		2.0210cresolhuman xenobiotic metabolite
gallic acid
gallate : A trihydroxybenzoate that is the conjugate base of gallic acid.		5.2560trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
octanoic acid
octanoic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #1764. octanoic acid : A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid.		3.5320medium-chain fatty acid;
straight-chain saturated fatty acid		antibacterial agent;
Escherichia coli metabolite;
human metabolite
4-aminophenol
4-aminophenol: RN given refers to parent cpd. 4-aminophenol : An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group.		3.5320aminophenolallergen;
metabolite
guaiacol
Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.		2.4420guaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite
malic acid
malic acid : A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group.. 2-hydroxydicarboxylic acid : Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group.		2.15102-hydroxydicarboxylic acid;
C4-dicarboxylic acid		food acidity regulator;
fundamental metabolite
aminocaproic acid
Aminocaproic Acid: An antifibrinolytic agent that acts by inhibiting plasminogen activators which have fibrinolytic properties.. 6-aminohexanoic acid : An epsilon-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator.		2.4620amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
hexachlorocyclohexane
Lindane: An organochlorine insecticide made up of greater than 99% gamma-Hexachlorocyclohexane. It has been used as a pediculicide and scabicide, and shown to cause cancer.. beta-hexachlorocyclohexane : The beta-isomer of hexachlorocyclohexane.		2.4620chlorocyclohexane
glycine
[no description available]		2.0710alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
hydroquinone
[no description available]		3.5120benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
methanol
Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.		3.110alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
inositol
Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration.		2.4620cyclitol;
hexol
melatonin
[no description available]		2.4620acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
naringenin
[no description available]		2.11104'-hydroxyflavanones;
trihydroxyflavanone
niacin
Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.		2.7530pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
n,n-dimethylaniline
N,N-dimethylaniline: RN given refers to parent cpd; structure. dimethylaniline : A methylaniline carrying at least two methyl groups.. N,N-dimethylaniline : A tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups.		3.110dimethylaniline;
tertiary amine
4-aminobenzoic acid
4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.. 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group.		2.0510aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite
4-nitrophenol
4-nitrophenol: RN given refers to parent cpd. mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position.. 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group.		3.51204-nitrophenolshuman xenobiotic metabolite;
mouse metabolite
phenanthrene
phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'		2.0810ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes		environmental contaminant;
mouse metabolite
phenol
[no description available]		3.7830phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
pyrazinamide
pyrazinecarboxamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of pyrazinoic acid (pyrazine-2-carboxylic acid) with ammonia. A prodrug for pyrazinoic acid, pyrazinecarboxamide is used as part of multidrug regimens for the treatment of tuberculosis.		2.9940monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
pyridine
azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.		2.1110azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines		environmental contaminant;
NMR chemical shift reference compound
pyridoxine
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol: structure in first source. vitamin B6 : Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms).		2.4620hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyrogallol
benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring.		3.5320benzenetriol;
phenolic donor		plant metabolite
thiamine
thiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively.		2.4620primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
tryptophan
[no description available]		3.110alpha-amino acid;
amino acid zwitterion;
aminoalkylindole;
aromatic amino acid;
polar amino acid		Daphnia magna metabolite
uric acid
Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.		3.2510uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
vanillin
Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS).		3.110benzaldehydes;
monomethoxybenzene;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite
catechin
[no description available]		3.5320hydroxyflavan
menthol
Menthol: A monoterpene cyclohexanol produced from mint oils.		3.110p-menthane monoterpenoid;
secondary alcohol		volatile oil component
2,4-dinitrophenol
2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed). dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents.. 2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions.		2.4620dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
2-aminofluorene
[no description available]		3.110
3-methylcholanthrene
Methylcholanthrene: A carcinogen that is often used in experimental cancer studies.. 3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position.		2.0510ortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent
homovanillic acid
Homovanillic Acid: A 3-O-methyl ETHER of (3,4-dihydroxyphenyl)acetic acid.. homovanillate : A hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid.. homovanillic acid : A monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite.		3.110guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
4-nonylphenol
4-nonylphenol: structure in first source; see also record for nonylphenol. 4-nonylphenol : A member of the class of phenols that is phenol which is para-substituted with a nonyl group.		2.0210phenolsenvironmental contaminant
phenytoin
[no description available]		2.7530imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
6-hydroxymelatonin
6-hydroxymelatonin : A member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6.		3.110acetamides;
tryptamines		metabolite;
mouse metabolite
7,8-dihydroxyflavone
7,8-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A naturally occurring flavonoid produced by several plants, including the weed Tridax procumbens (coalbuttons or tridax daisy) and the tree Godmania aesculifolia, In animal models, it has shown efficacy against several diseases of the nervous system, including Alzheimer's, Parkinson's, and Huntington's.		2.0510dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist
oxyquinoline
Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes.		3.110monohydroxyquinolineantibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator
tacrine
Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.. tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease.		2.7530acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
acetaminophen
Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.		4.2350acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
acetazolamide
Acetazolamide: One of the CARBONIC ANHYDRASE INHIBITORS that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337)		2.7430monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide
Acetohexamide: A sulfonylurea hypoglycemic agent that is metabolized in the liver to 1-hydrohexamide.. acetohexamide : An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is replaced by a p-acetylphenylsulfonyl group, while a hydrogen attached to the other nitrogen is replaced by a cyclohexyl group.		2.4620acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
albendazole
[no description available]		2.7530aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
tocopheroxy radical
tocopheroxy radical: RN given refers to radical ion (1+), (2R-(2R*(4R*,8R*)))-isomer; RN for cpd without isomeric designation not available 12/90		3.6120tocopherol
aminoglutethimide
Aminoglutethimide: An aromatase inhibitor that is used in the treatment of advanced BREAST CANCER.. aminoglutethimide : A dicarboximide that is a six-membered cyclic compound having ethyl and 4-aminophenyl substituents at the 3-position.		2.4620dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
theophylline
[no description available]		2.7530dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
amiodarone
Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance.. amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.		2.75301-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug
amitriptyline
Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines.. amitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.		3.5320carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
amlodipine
Amlodipine: A long-acting dihydropyridine calcium channel blocker. It is effective in the treatment of ANGINA PECTORIS and HYPERTENSION.. amlodipine : A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina.		2.0710dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
amoxapine
Amoxapine: The N-demethylated derivative of the antipsychotic agent LOXAPINE that works by blocking the reuptake of norepinephrine, serotonin, or both; it also blocks dopamine receptors. Amoxapine is used for the treatment of depression.. amoxapine : A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position.		2.4620dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
amsacrine
Amsacrine: An aminoacridine derivative that intercalates into DNA and is used as an antineoplastic agent.. amsacrine : A sulfonamide that is N-phenylmethanesulfonamide substituted by a methoxy group at position 3 and an acridin-9-ylamino group at position 4. It exhibits antineoplastic activity.		2.0710acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
aspirin
Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity.		5.1580benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
astemizole
Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.		2.4620benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
atenolol
Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect.. atenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.		2.4620ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
azathioprine
Azathioprine: An immunosuppressive agent used in combination with cyclophosphamide and hydroxychloroquine in the treatment of rheumatoid arthritis. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance has been listed as a known carcinogen. (Merck Index, 11th ed). azathioprine : A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS.		2.7530aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
benzbromarone
Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.		2.75301-benzofurans;
aromatic ketone		uricosuric drug
beta-naphthoflavone
beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone.		3.110extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist
bicalutamide
bicalutamide: approved for treatment of advanced prostate cancer. N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide : A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group.. bicalutamide : A racemate comprising of equal amounts of (R)-bicalutamide and (S)-bicalutamide. It is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism.		2.4620(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
bithionol
Bithionol: Halogenated anti-infective agent that is used against trematode and cestode infestations.. bithionol : An aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders.		2.4620aryl sulfide;
bridged diphenyl antifungal drug;
bridged diphenyl fungicide;
dichlorobenzene;
organochlorine pesticide;
polyphenol		antifungal agrochemical;
antiplatyhelmintic drug
bumetanide
[no description available]		3.8230amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine
Bupivacaine: A widely used local anesthetic agent.. 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide : A piperidinecarboxamide obtained by formal condensation of the carboxy group of N-butylpipecolic acid with the amino group of 2,6-dimethylaniline.. bupivacaine : A racemate composed of equimolar amounts of dextrobupivacaine and levobupivacaine. Used (in the form of its hydrochloride hydrate) as a local anaesthetic.		2.4620aromatic amide;
piperidinecarboxamide;
tertiary amino compound
buspirone
Buspirone: An anxiolytic agent and serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the BENZODIAZAPINES, but it has an efficacy comparable to DIAZEPAM.. buspirone : An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position.		2.7530azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
busulfan
[no description available]		2.7530methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
caffeine
[no description available]		3.1650purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
candesartan
candesartan: a nonpeptide angiotensin II receptor antagonist. candesartan : A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension.		2.4620benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
carbamazepine
Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties.. carbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.		4.0540dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic
carmustine
Carmustine: A cell-cycle phase nonspecific alkylating antineoplastic agent. It is used in the treatment of brain tumors and various other malignant neoplasms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p462) This substance may reasonably be anticipated to be a carcinogen according to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (From Merck Index, 11th ed). carmustine : A member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group.		2.0710N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
celecoxib
[no description available]		3.930organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
chloroquine
Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.. chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.		2.4320aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chlorpheniramine
Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE.. chlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma.		3.110monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
chlorpromazine
Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.		4.0540organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpropamide
Chlorpropamide: A sulfonylurea hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. (From Martindale, The Extra Pharmacopoeia, 30th ed, p277). chlorpropamide : An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is substituted by 4-chlorobenzenesulfonyl group and a hydrogen attached to the other nitrogen is substituted by propyl group. Chlorpropamide is a hypoglycaemic agent used in the treatment of type 2 (non-insulin-dependent) diabetes mellitus not responding to dietary modification.		2.7530monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorzoxazone
Chlorzoxazone: A centrally acting central muscle relaxant with sedative properties. It is claimed to inhibit muscle spasm by exerting an effect primarily at the level of the spinal cord and subcortical areas of the brain. (From Martindale, The Extra Pharmacopoea, 30th ed, p1202). chlorzoxazone : A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazol-2-ol in which the hydrogen atom at position 5 is substituted by chlorine. A centrally acting muscle relaxant with sedative properties, it is used for the symptomatic treatment of painful muscle spasm.		2.46201,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
ciclopirox
[no description available]		2.4620cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone		antibacterial agent;
antiseborrheic
ciglitazone
ciglitazone: structure given in second source; PPAR agonist used for type II diabetes. ciglitazone : An aromatic ether that consists of 1,3-thiazolidine-2,4-dione with position 5 substituted by a 4-[(1-methylcyclohexyl)methoxy]benzyl group. A selective PPARgamma agonist.		2.7130aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug
cilostazol
[no description available]		2.0710lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
cimetidine
Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output.. cimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach.		2.7530aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
ciprofibrate
[no description available]		3.8230cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
ciprofloxacin
Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.		3.4870aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
cisapride
Cisapride: A substituted benzamide used for its prokinetic properties. It is used in the management of gastroesophageal reflux disease, functional dyspepsia, and other disorders associated with impaired gastrointestinal motility. (Martindale The Extra Pharmacopoeia, 31st ed). cisapride : The amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere.		2.7530benzamides
citalopram
Citalopram: A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from TARDIVE DYSKINESIA in preference to tricyclic antidepressants, which aggravate dyskinesia.. citalopram : A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active.. 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile : A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group.		2.46202-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clofibrate
angiokapsul: contains clofibrate & insoitolnicotinate		4.2150aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clofibric acid
Clofibric Acid: An antilipemic agent that is the biologically active metabolite of CLOFIBRATE.. clofibric acid : A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate.		3.110aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
clomiphene
[no description available]		2.0510tertiary amineestrogen antagonist;
estrogen receptor modulator
clomipramine
Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine.. clomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias.		2.4620dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide
[no description available]		3.110sulfonamide
clotrimazole
[no description available]		2.7530conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
4-cresol
4-cresol: RN given refers to parent cpd. p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals.		4.7450cresolEscherichia coli metabolite;
human metabolite;
uremic toxin
cromolyn
cromoglycic acid : A dicarboxylic acid that is the bis-chromone derivative of glycerol. It is effective as a mast cell stabilizer.		2.7530chromones;
dicarboxylic acid		anti-asthmatic drug;
calcium channel blocker
cyproheptadine
Cyproheptadine: A serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc.. cyproheptadine : The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia.		3.110piperidines;
tertiary amine		anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
danthron
danthron: structure. chrysazin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 8.		3.110dihydroxyanthraquinoneapoptosis inducer;
plant metabolite
dapsone
[no description available]		4.0540substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
decanoic acid
decanoate : A fatty acid anion 10:0 that is the conjugate base of decanoic acid.. decanoic acid : A C10, straight-chain saturated fatty acid.		3.5320medium-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component
deferiprone
Deferiprone: A pyridone derivative and iron chelator that is used in the treatment of IRON OVERLOAD in patients with THALASSEMIA.. deferiprone : A member of the class of 4-pyridones that is pyridin-4(1H)-one substituted at positions 1 and 2 by methyl groups and at position 3 by a hydroxy group. A lipid-soluble iron-chelator used for treatment of thalassaemia.		2.41204-pyridonesiron chelator;
protective agent
desipramine
Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.. desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.		3.8230dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor
diclofenac
Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.		2.9840amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
diethylcarbamazine
Diethylcarbamazine: An anthelmintic used primarily as the citrate in the treatment of filariasis, particularly infestations with Wucheria bancrofti or Loa loa.		2.4620N-carbamoylpiperazine;
N-methylpiperazine
diflunisal
Diflunisal: A salicylate derivative and anti-inflammatory analgesic with actions and side effects similar to those of ASPIRIN.. diflunisal : An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position.		3.8230monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
dimercaprol
Dimercaprol: An anti-gas warfare agent that is effective against Lewisite (dichloro(2-chlorovinyl)arsine) and formerly known as British Anti-Lewisite or BAL. It acts as a chelating agent and is used in the treatment of arsenic, gold, and other heavy metal poisoning.. dimercaprol : A dithiol that is propane-1,2-dithiol in which one of the methyl hydrogens is replaced by a hydroxy group. a chelating agent originally developed during World War II as an experimental antidote against the arsenic-based poison gas Lewisite, it has been used clinically since 1949 for the treatment of poisoning by arsenic, mercury and gold. It can also be used for treatment of poisoning by antimony, bismuth and possibly thallium, and (with sodium calcium edetate) in cases of acute leaad poisoning. Administration is by (painful) intramuscular injection of a suspension of dimercaprol in peanut oil, typically every 4 hours for 2-10 days depending on the toxicity. In the past, dimercaprol was also used for the treatment of Wilson's disease, a severely debilitating genetic disorder in which the body tends to retain copper, with resultant liver and brain injury.		2.4620dithiol;
primary alcohol		chelator
diphenhydramine
Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.. antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.		3.5320ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
dipyridamole
Dipyridamole: A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752). dipyridamole : A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots.		2.4620piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
disulfiram
[no description available]		2.4720organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
valproic acid
Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.		4.0540branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent
donepezil
Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE.. donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.. 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.		7.9940aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
doxepin
Doxepin: A dibenzoxepin tricyclic compound. It displays a range of pharmacological actions including maintaining adrenergic innervation. Its mechanism of action is not fully understood, but it appears to block reuptake of monoaminergic neurotransmitters into presynaptic terminals. It also possesses anticholinergic activity and modulates antagonism of histamine H(1)- and H(2)-receptors.. doxepin : A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug.		3.110dibenzooxepine;
tertiary amino compound		antidepressant
doxylamine
Doxylamine: Histamine H1 antagonist with pronounced sedative properties. It is used in allergies and as an antitussive, antiemetic, and hypnotic. Doxylamine has also been administered in veterinary applications and was formerly used in PARKINSONISM.		3.110pyridines;
tertiary amine		anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative
ebselen
ebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase.		2.8630benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
ellipticine
ellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11.		2.0510indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
emodin
Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies.. emodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs.		3.110trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
ethacrynic acid
Ethacrynic Acid: A compound that inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. This compound has been classified as a loop or high ceiling diuretic.. etacrynic acid : An aromatic ether that is phenoxyacetic acid in which the phenyl ring is substituted by chlorines at positions 2 and 3, and by a 2-methylidenebutanoyl group at position 4. It is a loop diuretic used to treat high blood pressure resulting from diseases such as congestive heart failure, liver failure, and kidney failure. It is also a glutathione S-transferase (EC 2.5.1.18) inhibitor.		3.110aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
ethosuximide
Ethosuximide: An anticonvulsant especially useful in the treatment of absence seizures unaccompanied by other types of seizures.. ethosuximide : A dicarboximide that is pyrrolidine-2,5-dione in which the hydrogens at position 3 are substituted by one methyl and one ethyl group. An antiepileptic, it is used in the treatment of absence seizures and may be used for myoclonic seizures, but is ineffective against tonic-clonic seizures.		2.4620dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
ethoxyquin
Ethoxyquin: Antioxidant; also a post-harvest dip to prevent scald on apples and pears.. ethoxyquin : A quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6.		1.9610aromatic ether;
quinolines		antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator
etidronate
Etidronic Acid: A diphosphonate which affects calcium metabolism. It inhibits ectopic calcification and slows down bone resorption and bone turnover.. etidronic acid : A 1,1-bis(phosphonic acid) that is (ethane-1,1-diyl)bis(phosphonic acid) having a hydroxy substituent at the 1-position. It inhibits the formation, growth, and dissolution of hydroxyapatite crystals by chemisorption to calcium phosphate surfaces.		2.07101,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
carbonyl cyanide p-trifluoromethoxyphenylhydrazone
Carbonyl Cyanide p-Trifluoromethoxyphenylhydrazone: A proton ionophore that is commonly used as an uncoupling agent in biochemical studies.. carbonyl cyanide p-trifluoromethoxyphenylhydrazone : A hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group.		2.4620aromatic ether;
hydrazone;
nitrile;
organofluorine compound		ATP synthase inhibitor;
geroprotector;
ionophore
felbamate
Felbamate: A PEGylated phenylcarbamate derivative that acts as an antagonist of NMDA RECEPTORS. It is used as an anticonvulsant, primarily for the treatment of SEIZURES in severe refractory EPILEPSY.. felbamate : The bis(carbamate ester) of 2-phenylpropane-1,3-diol. An anticonvulsant, it is used in the treatment of epilepsy.		2.7530carbamate esteranticonvulsant;
neuroprotective agent
fenofibrate
Pharmavit: a polyvitamin product, comprising vitamins A, D2, B1, B2, B6, C, E, nicotinamide, & calcium pantothene; may be a promising agent for application to human populations exposed to carcinogenic and genetic hazards of ionizing radiation; RN from CHEMLINE		2.7530aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fenoprofen
Fenoprofen: A propionic acid derivative that is used as a non-steroidal anti-inflammatory agent.. fenoprofen : A monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 2 is substituted by a 3-phenoxyphenyl group. A non-steroidal anti-inflammatory drug, the dihydrate form of the calcium salt is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding.		3.110monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
berotek
Fenoterol: A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic.. fenoterol : A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction.		3.110resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
fexofenadine
fexofenadine: a second generation antihistamine; metabolite of the antihistaminic drug terfenadine; structure in first source; RN refers to HCl. fexofenadine : A piperidine-based anti-histamine compound.		2.4620piperidines;
tertiary amine		anti-allergic agent;
H1-receptor antagonist
fipexide
fipexide: regulates dopaminergic systems at macromolecular level		2.4620benzodioxoles
fluconazole
Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.. fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.		3.6990conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
flucytosine
Flucytosine: A fluorinated cytosine analog that is used as an antifungal agent.. flucytosine : An organofluorine compound that is cytosine that is substituted at position 5 by a fluorine. A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections.		2.4620aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
flufenamic acid
Flufenamic Acid: An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16). flufenamic acid : An aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders.		2.4620aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fluphenazine
[no description available]		3.110N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
flumazenil
Flumazenil: A potent benzodiazepine receptor antagonist. Since it reverses the sedative and other actions of benzodiazepines, it has been suggested as an antidote to benzodiazepine overdoses.. flumazenil : An organic heterotricyclic compound that is 5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted at positions 3, 5, 6, and 8 by ethoxycarbonyl, methyl, oxo, and fluoro groups, respectively. It is used as an antidote to benzodiazepine overdose.		2.4620ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
fluorescite
fluorescein (acid form) : A xanthene dye that is highly fluorescent and commonly used as a fluorescent tracer.		3.110benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium
fluorouracil
Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.		2.4620nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluoxetine
Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.		2.7530(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
flurbiprofen
Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE.. flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain.		2.4620fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fluspirilene
Fluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia.		2.4620diarylmethane
flutamide
Flutamide: An antiandrogen with about the same potency as cyproterone in rodent and canine species.		2.7530(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
foscarnet
Foscarnet: An antiviral agent used in the treatment of cytomegalovirus retinitis. Foscarnet also shows activity against human herpesviruses and HIV.. phosphonoformic acid : Phosphoric acid in which one of the hydroxy groups is replaced by a carboxylic acid group. It is used as the trisodium salt as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity.		2.7330carboxylic acid;
one-carbon compound;
phosphonic acids		antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor
furosemide
Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.		4.0540chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gabapentin
Gabapentin: A cyclohexane-gamma-aminobutyric acid derivative that is used for the treatment of PARTIAL SEIZURES; NEURALGIA; and RESTLESS LEGS SYNDROME.. gabapentin : A gamma-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome.		2.4620gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
gemfibrozil
[no description available]		2.7130aromatic etherantilipemic drug
2,5-dihydroxybenzoic acid
2,5-dihydroxybenzoic acid: RN given refers to parent cpd; a oxidative product of saligenin. 2,5-dihydroxybenzoic acid : A dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions.		3.2510dihydroxybenzoic acidEC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite
glafenine
Glafenine: An anthranilic acid derivative with analgesic properties used for the relief of all types of pain.. glafenine : A carboxylic ester that is 2,3-dihydroxypropyl anthranilate in which the amino group is substituted by a 7-chloroquinolin-4-yl group. A non-steroidal anti-inflammatory drug, glafenine and its hydrochloride salt were used for the relief of all types of pain, but high incidence of anaphylactic reactions resulted in their withdrawal from the market.		2.7530aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
gliclazide
Gliclazide: An oral sulfonylurea hypoglycemic agent which stimulates insulin secretion.		2.4620N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
glimepiride
glimepiride: structure given in first source		2.4620sulfonamide
glutethimide
Glutethimide: A hypnotic and sedative. Its use has been largely superseded by other drugs.		2.4620piperidines
guaifenesin
Guaifenesin: An expectorant that also has some muscle relaxing action. It is used in many cough preparations.		2.0710methoxybenzenes
hexachlorophene
Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797). hexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union.		2.4620bridged diphenyl fungicide;
polyphenol;
trichlorobenzene		acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
hycanthone
Hycanthone: Potentially toxic, but effective antischistosomal agent, it is a metabolite of LUCANTHONE.. hycanthone : A thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.		2.7530thioxanthenesmutagen;
schistosomicide drug
hydralazine
Hydralazine: A direct-acting vasodilator that is used as an antihypertensive agent.. hydralazine : The 1-hydrazino derivative of phthalazine; a direct-acting vasodilator that is used as an antihypertensive agent.		2.0710azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent
hydrochlorothiazide
Hydrochlorothiazide: A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It is used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism.. hydrochlorothiazide : A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure.		2.4620benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroxyurea
[no description available]		2.4620one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
hydroxyzine
Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.. hydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively.		2.0710hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
ibuprofen
Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine		4.3960monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
phenelzine
Phenelzine: One of the MONOAMINE OXIDASE INHIBITORS used to treat DEPRESSION; PHOBIC DISORDERS; and PANIC.		2.7530primary amine
lidocaine
Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE.. lidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline.		2.4620benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
idebenone
[no description available]		2.04101,4-benzoquinones;
primary alcohol		antioxidant;
ferroptosis inhibitor
ifosfamide
[no description available]		2.4620ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
imipramine
Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.		3.5320dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone
Amrinone: A positive inotropic cardiotonic (CARDIOTONIC AGENTS) with vasodilator properties, phosphodiesterase 3 inhibitory activity, and the ability to stimulate calcium ion influx into the cardiac cell.. amrinone : A 3,4'-bipyridine substituted at positions 5 and 6 by an amino group and a keto function respectively. A pyridine phosphodiesterase 3 inhibitor, it is a drug that may improve the prognosis in patients with congestive heart failure.		2.4620bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indomethacin
Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.		4.9160aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
iproniazid
[no description available]		2.9940carbohydrazide;
pyridines
avapro
Irbesartan: A spiro compound, biphenyl and tetrazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION, and in the treatment of kidney disease.. irbesartan : A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension.		2.4620azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
isocarboxazid
Isocarboxazid: An MAO inhibitor that is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in the treatment of panic disorder and the phobic disorders. (From AMA, Drug Evaluations Annual, 1994, p311)		2.4620benzenes
isoniazid
Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC).		3.1850carbohydrazideantitubercular agent;
drug allergen
ketoconazole
1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively.		2.9740dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketoprofen
Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.		3.8230benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
ketotifen
Ketotifen: A cycloheptathiophene blocker of histamine H1 receptors and release of inflammatory mediators. It has been proposed for the treatment of asthma, rhinitis, skin allergies, and anaphylaxis.. ketotifen : An organic heterotricyclic compound that is 4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one which is substituted at position 4 by a 1-methylpiperidin-4-ylidene group. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is used (usually as its hydrogen fumarate salt) for the treatment of asthma, where it may take several weeks to exert its full effect.		3.8230cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist
kojic acid
[no description available]		4.11404-pyranones;
enol;
primary alcohol		Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent
3-phenyllactic acid
3-phenyllactic acid: alpha-hydroxy analog of phenylalanine; RN given refers to cpd without isomeric designation. 3-phenyllactic acid : A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a phenyl group.		2.15102-hydroxy monocarboxylic acidhuman metabolite
labetalol
Labetalol: A salicylamide derivative that is a non-cardioselective blocker of BETA-ADRENERGIC RECEPTORS and ALPHA-1 ADRENERGIC RECEPTORS.. labetalol : A diastereoisomeric mixture of approximately equal amounts of all four possible stereoisomers ((R,S)-labetolol, (S,R)-labetolol, (S,S)-labetalol and (R,R)-labetalol). It is an adrenergic antagonist used to treat high blood pressure.. 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide : A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5.		4.0540benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
lamotrigine
[no description available]		3.53201,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
lauric acid
dodecanoic acid : A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil.		3.5320medium-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
antibacterial agent;
plant metabolite
leflunomide
Leflunomide: An isoxazole derivative that inhibits dihydroorotate dehydrogenase, the fourth enzyme in the pyrimidine biosynthetic pathway. It is used an immunosuppressive agent in the treatment of RHEUMATOID ARTHRITIS and PSORIATIC ARTHRITIS.. leflunomide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.		2.4620(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
lorazepam
Lorazepam: A benzodiazepine used as an anti-anxiety agent with few side effects. It also has hypnotic, anticonvulsant, and considerable sedative properties and has been proposed as a preanesthetic agent.		3.110benzodiazepine
losartan
Losartan: An antagonist of ANGIOTENSIN TYPE 1 RECEPTOR with antihypertensive activity due to the reduced pressor effect of ANGIOTENSIN II.. losartan : A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position		4.0540biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
loxapine
Loxapine: An antipsychotic agent used in SCHIZOPHRENIA.		3.110dibenzooxazepineantipsychotic agent;
dopaminergic antagonist
maprotiline
Maprotiline: A bridged-ring tetracyclic antidepressant that is both mechanistically and functionally similar to the tricyclic antidepressants, including side effects associated with its use.		2.7530anthracenes
edaravone
[no description available]		2.0210pyrazoloneantioxidant;
radical scavenger
mebendazole
Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.		2.4620aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
mecamylamine
Mecamylamine: A nicotinic antagonist that is well absorbed from the gastrointestinal tract and crosses the blood-brain barrier. Mecamylamine has been used as a ganglionic blocker in treating hypertension, but, like most ganglionic blockers, is more often used now as a research tool.		2.0710primary aliphatic amine
meclizine
Meclizine: A histamine H1 antagonist used in the treatment of motion sickness, vertigo, and nausea during pregnancy and radiation sickness.		2.0710diarylmethane
meclofenamate sodium anhydrous
[no description available]		2.4620organic sodium salt
meclofenoxate
Meclofenoxate: An ester of DIMETHYLAMINOETHANOL and para-chlorophenoxyacetic acid.		1.9710monocarboxylic acid
mefenamic acid
Mefenamic Acid: A non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase.. mefenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis.		2.7530aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
memantine
[no description available]		2.4620adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
vitamin k 3
Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo.		2.77301,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
meperidine
Meperidine: A narcotic analgesic that can be used for the relief of most types of moderate to severe pain, including postoperative pain and the pain of labor. Prolonged use may lead to dependence of the morphine type; withdrawal symptoms appear more rapidly than with morphine and are of shorter duration.. pethidine : A piperidinecarboxylate ester that is piperidine which is substituted by a methyl group at position 1 and by phenyl and ethoxycarbonyl groups at position 4. It is an analgesic which is used for the treatment of moderate to severe pain, including postoperative pain and labour pain.		3.5320ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
mepivacaine
Mepivacaine: A local anesthetic that is chemically related to BUPIVACAINE but pharmacologically related to LIDOCAINE. It is indicated for infiltration, nerve block, and epidural anesthesia. Mepivacaine is effective topically only in large doses and therefore should not be used by this route. (From AMA Drug Evaluations, 1994, p168). mepivacaine : A piperidinecarboxamide in which N-methylpipecolic acid and 2,6-dimethylaniline have combined to form the amide bond. It is used as a local amide-type anaesthetic.		2.0710piperidinecarboxamidedrug allergen;
local anaesthetic
meprobamate
Meprobamate: A carbamate with hypnotic, sedative, and some muscle relaxant properties, although in therapeutic doses reduction of anxiety rather than a direct effect may be responsible for muscle relaxation. Meprobamate has been reported to have anticonvulsant actions against petit mal seizures, but not against grand mal seizures (which may be exacerbated). It is used in the treatment of ANXIETY DISORDERS, and also for the short-term management of INSOMNIA but has largely been superseded by the BENZODIAZEPINES. (From Martindale, The Extra Pharmacopoeia, 30th ed, p603)		2.4620organic molecular entity
mesalamine
Mesalamine: An anti-inflammatory agent, structurally related to the SALICYLATES, which is active in INFLAMMATORY BOWEL DISEASE. It is considered to be the active moiety of SULPHASALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed). mesalamine : A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position.		3.110amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
metformin
Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.		3.8830guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
methapyrilene
Methapyrilene: Histamine H1 antagonist with sedative action used as a hypnotic and in allergies.. methapyrilene : A member of the class of ethylenediamine derivatives that is ethylenediamine in which one of the nitrogens is substituted by two methyl groups, and the other nitrogen is substituted by a 2-pyridyl group and a (2-thienyl)methyl group.		2.4620ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
methocarbamol
Methocarbamol: A centrally acting muscle relaxant whose mode of action has not been established. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1206). methocarbamol : A racemate comprising equimolar amounts of (R)- and (S)-methocarbamol. A centrally acting skeletal muscle relaxant, it is used as an adjunct in the short-term symptomatic treatment of painful muscle spasm. The (R)-enantiomer is more active than the (S)-enantiomer.. 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate : A carbamate ester that is glycerol in which one of the primary alcohol groups has been converted to its 2-methoxyphenyl ether while the other has been converted to the corresponding carbamate ester.		2.0710aromatic ether;
carbamate ester;
secondary alcohol
methoxsalen
Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation.. methoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis.		2.0810aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
nocodazole
[no description available]		2.4620aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
methylphenidate
Methylphenidate: A central nervous system stimulant used most commonly in the treatment of ATTENTION DEFICIT DISORDER in children and for NARCOLEPSY. Its mechanisms appear to be similar to those of DEXTROAMPHETAMINE. The d-isomer of this drug is referred to as DEXMETHYLPHENIDATE HYDROCHLORIDE.. methylphenidate : A racemate comprising equimolar amounts of the two threo isomers of methyl phenyl(piperidin-2-yl)acetate. A central stimulant and indirect-acting sympathomimetic, is used (generally as the hydrochloride salt) in the treatment of hyperactivity disorders in children and for the treatment of narcolepsy.. methyl phenyl(piperidin-2-yl)acetate : A amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group.		2.4620beta-amino acid ester;
methyl ester;
piperidines
metolazone
Metolazone: A quinazoline-sulfonamide derived DIURETIC that functions by inhibiting SODIUM CHLORIDE SYMPORTERS.. metolazone : A quinazoline that consists of 1,2,3,4-tetrahydroquinazolin-4-one bearing additional methyl, 2-tolyl, sulfamyl and chloro substituents at positions 2, 3, 6 and 7 respectively. A quinazoline diuretic, with properties similar to thiazide diuretics.		2.4620organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor
metronidazole
Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.. metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.		2.7830C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
mexiletine
Mexiletine: Antiarrhythmic agent pharmacologically similar to LIDOCAINE. It may have some anticonvulsant properties.. mexiletine : An aromatic ether which is 2,6-dimethylphenyl ether of 2-aminopropan-1-ol.		3.110aromatic ether;
primary amino compound		anti-arrhythmia drug
mianserin
Mianserin: A tetracyclic compound with antidepressant effects. It may cause drowsiness and hematological problems. Its mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors.. mianserin : A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere.		2.4620dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
miconazole
Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion.. 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group.. miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.		3.250dichlorobenzene;
ether;
imidazoles
midodrine
Midodrine: An ethanolamine derivative that is an adrenergic alpha-1 agonist. It is used as a vasoconstrictor agent in the treatment of HYPOTENSION.. midodrine : An aromatic ether that is 1,4-dimethoxybenzene which is substituted at position 2 by a 2-(glycylamino)-1-hydroxyethyl group. A direct-acting sympathomimetic with selective alpha-adrenergic agonist activity, it is used (generally as its hydrochloride salt) as a peripheral vasoconstrictor in the treatment of certain hypotensive states. The main active moiety is its major metabolite, deglymidodrine.		2.0710amino acid amide;
aromatic ether;
secondary alcohol		alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent
minoxidil
Minoxidil: A potent direct-acting peripheral vasodilator (VASODILATOR AGENTS) that reduces peripheral resistance and produces a fall in BLOOD PRESSURE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p371). minoxidil : A pyrimidine N-oxide that is pyrimidine-2,4-diamine 3-oxide substituted by a piperidin-1-yl group at position 6.		2.0710dialkylarylamine;
tertiary amino compound
mitoxantrone
Mitoxantrone: An anthracenedione-derived antineoplastic agent.. mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8.		3.110dihydroxyanthraquinoneanalgesic;
antineoplastic agent
modafinil
Modafinil: A benzhydryl acetamide compound, central nervous system stimulant, and CYP3A4 inducing agent that is used in the treatment of NARCOLEPSY and SLEEP WAKE DISORDERS.. modafinil : A racemate comprising equimolar amounts of armodafinil and (S)-modafinil. A central nervous system stimulant, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The optical enantiomers of modafinil have similar pharmacological actions in animals.. 2-[(diphenylmethyl)sulfinyl]acetamide : A sulfoxide that is dimethylsulfoxide in which two hydrogens attached to one of the methyl groups are replaced by phenyl groups, while one hydrogen attached to the other methyl group is replaced by a carbamoyl (aminocarbonyl) group.		2.0710monocarboxylic acid amide;
sulfoxide
nalidixic acid
[no description available]		2.46201,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nefazodone
nefazodone: may be useful as an opiate adjunct		2.7530aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nevirapine
Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.. nevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.		2.0710cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nifedipine
Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.		2.7530C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nilutamide
[no description available]		2.0710(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent
nimesulide
nimesulide: structure. nimesulide : An aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups.		2.7530aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
nimodipine
Nimodipine: A calcium channel blockader with preferential cerebrovascular activity. It has marked cerebrovascular dilating effects and lowers blood pressure.. nimodipine : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.		2.46202-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nisoldipine
Nisoldipine: A dihydropyridine calcium channel antagonist that acts as a potent arterial vasodilator and antihypertensive agent. It is also effective in patients with cardiac failure and angina.. nisoldipine : A racemate consisting of equimolar amounts of (R)- and (S)-nisoldipine. A calcium channel blocker, it is used in the treatment of hypertension and angina pectoris.. methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, a calcium channel blocker, is used in the treatment of hypertension and angina pectoris.		2.7530C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nomifensine
Nomifensine: An isoquinoline derivative that prevents dopamine reuptake into synaptosomes. The maleate was formerly used in the treatment of depression. It was withdrawn worldwide in 1986 due to the risk of acute hemolytic anemia with intravascular hemolysis resulting from its use. In some cases, renal failure also developed. (From Martindale, The Extra Pharmacopoeia, 30th ed, p266). nomifensine : An N-methylated tetrahydroisoquinoline carrying phenyl and amino substituents at positions C-4 and C-8, respectively.		2.4620isoquinolinesdopamine uptake inhibitor
masoprocol
nordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata)		4.0740catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
nortriptyline
Nortriptyline: A metabolite of AMITRIPTYLINE that is also used as an antidepressive agent. Nortriptyline is used in major depression, dysthymia, and atypical depressions.. nortriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline.		3.110organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
ofloxacin
Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION.. 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively.. ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.		2.07103-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
omeprazole
Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.. omeprazole : A racemate comprising equimolar amounts of (R)- and (S)-omeprazole.. 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.		2.0710aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
orphenadrine
Orphenadrine: A muscarinic antagonist used to treat drug-induced parkinsonism and to relieve pain from muscle spasm.. orphenadrine : A tertiary amino compound which is the phenyl-o-tolylmethyl ether of 2-(dimethylamino)ethanol.		2.0710ether;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
oxaprozin
Oxaprozin: An oxazole-propionic acid derivative, cyclooxygenase inhibitor, and non-steroidal anti-inflammatory drug that is used in the treatment of pain and inflammation associated with of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; and ARTHRITIS, JUVENILE.. oxaprozin : A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis.		2.46201,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
oxazepam
Oxazepam: A benzodiazepine used in the treatment of anxiety, alcohol withdrawal, and insomnia.. oxazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5.		3.1101,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
oxibendazole
oxibendazole: structure		2.4620benzimidazoles;
carbamate ester
oxybenzone
oxybenzone : A hydroxybenzophenone that is benzophenone which is substituted at the 2- and 4-positions of one of the benzene rings by hydroxy and methoxy groups respectively.		2.0510hydroxybenzophenone;
monomethoxybenzene		dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic
oxybutynin
oxybutynin: RN given refers to parent cpd. oxybutynin : A racemate comprising equimolar amounts of (R)-oxybutynin and esoxybutynin. An antispasmodic used for the treatment of overactive bladder.		2.0710acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
oxyphenbutazone
Oxyphenbutazone: A non-steroidal anti-inflammatory drug. Oxyphenbutazone eyedrops have been used abroad in the management of postoperative ocular inflammation, superficial eye injuries, and episcleritis. (From AMA, Drug Evaluations Annual, 1994, p2000) It had been used by mouth in rheumatic disorders such as ankylosing spondylitis, osteoarthritis, and rheumatoid arthritis but such use is no longer considered justified owing to the risk of severe hematological adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p27). oxyphenbutazone : A metabolite of phenylbutazone obtained by hydroxylation at position 4 of one of the phenyl rings. Commonly used (as its hydrate) to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome.		3.5320phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite
aminosalicylic acid
Aminosalicylic Acid: An antitubercular agent often administered in association with ISONIAZID. The sodium salt of the drug is better tolerated than the free acid.. 4-aminosalicylic acid : An aminobenzoic acid that is salicylic acid substituted by an amino group at position 4.		4.0540aminobenzoic acid;
phenols		antitubercular agent
pamidronate
[no description available]		2.7530phosphonoacetic acid
4-chlorophenol
4-chlorophenol: used as a root canal irrigant. 4-chlorophenol : A monochlorophenol substituted at the pare position by a chlorine atom.		2.0210monochlorophenol
4-dichlorobenzene
dichlorobenzene : Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions.. 1,4-dichlorobenzene : A dichlorobenzene carrying chloro groups at positions 1 and 4.		2.4620dichlorobenzeneinsecticide
pargyline
Pargyline: A monoamine oxidase inhibitor with antihypertensive properties.		2.4620aromatic amine
pemoline
Pemoline: A central nervous system stimulant used in fatigue and depressive states and to treat hyperkinetic disorders in children.. pemoline : A member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted by an amino group at position 2 and by a phenyl group at position 5. A central nervous system stimulant, it was used to treat hyperactivity disorders in children, but withdrawn from use following reports of serious hepatotoxicity.		2.46201,3-oxazolescentral nervous system stimulant
pentamidine
Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.. pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease.		2.4420aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
perhexiline
Perhexiline: 2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis.		2.7530piperidinescardiovascular drug
phenacetin
Saridon: contains phenacetin, caffeine, propyphenazone & pyrithyldione		2.4620acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
pheniramine
Pheniramine: One of the HISTAMINE H1 ANTAGONISTS with little sedative action. It is used in treatment of hay fever, rhinitis, allergic dermatoses, and pruritus.		3.110pyridines;
tertiary amino compound
phenobarbital
Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.		3.5320barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
phenolphthalein
Phenolphthalein: An acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic.		3.110phenols
phenolsulfonphthalein
Phenolsulfonphthalein: Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.. phenol red : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney.		3.1102,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone		acid-base indicator;
diagnostic agent;
two-colour indicator
phenoxybenzamine
Phenoxybenzamine: An alpha-adrenergic antagonist with long duration of action. It has been used to treat hypertension and as a peripheral vasodilator.		2.0710aromatic amine
phentermine
Phentermine: A central nervous system stimulant and sympathomimetic with actions and uses similar to those of DEXTROAMPHETAMINE. It has been used most frequently in the treatment of obesity.		2.0710primary amineadrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent
phenylbutazone
Phenylbutazone: A butyl-diphenyl-pyrazolidinedione that has anti-inflammatory, antipyretic, and analgesic activities. It has been used in ANKYLOSING SPONDYLITIS; RHEUMATOID ARTHRITIS; and REACTIVE ARTHRITIS.. phenylbutazone : A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position.		4.0540pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
pinacidil
Pinacidil: A guanidine that opens POTASSIUM CHANNELS producing direct peripheral vasodilatation of the ARTERIOLES. It reduces BLOOD PRESSURE and peripheral resistance and produces fluid retention. (Martindale The Extra Pharmacopoeia, 31st ed)		2.4620pyridines
pindolol
Pindolol: A moderately lipophilic beta blocker (ADRENERGIC BETA-ANTAGONISTS). It is non-cardioselective and has intrinsic sympathomimetic actions, but little membrane-stabilizing activity. (From Martindale, The Extra Pharmocopoeia, 30th ed, p638). pindolol : A member of the class of indols which is the 2-hydroxy-3-(isopropylamino)propyl ether derivative of 1H-indol-4-ol.		2.4620indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
pioglitazone
Pioglitazone: A thiazolidinedione and PPAR GAMMA agonist that is used in the treatment of TYPE 2 DIABETES MELLITUS.. pioglitazone : A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity.		2.7530aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
4-aminobenzoic acid
para-Aminobenzoates: Benzoic acids, salts, or esters that contain an amino group attached to carbon number 4 of the benzene ring structure.. 4-aminobenzoate : An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid.		2.0510aminobenzoate;
aromatic amino-acid anion		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
praziquantel
azinox: Russian drug		2.4620isoquinolines
primidone
Primidone: A barbiturate derivative that acts as a GABA modulator and anti-epileptic agent. It is partly metabolized to PHENOBARBITAL in the body and owes some of its actions to this metabolite.. primidone : A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an anticonvulsant for treatment of various types of seizures.		2.4620pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
probenecid
Probenecid: The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy.. probenecid : A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups.		3.8230benzoic acids;
sulfonamide		uricosuric drug
probucol
Probucol: A drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. (From Martindale, The Extra Pharmacopoeia, 30th ed, p993).. probucol : A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood.		4.570dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
prochlorperazine
Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612). prochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position.		2.0710N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
promethazine
Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals.. promethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety.		3.110phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propofol
Propofol: An intravenous anesthetic agent which has the advantage of a very rapid onset after infusion or bolus injection plus a very short recovery period of a couple of minutes. (From Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206). Propofol has been used as ANTICONVULSANTS and ANTIEMETICS.. propofol : A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group.		4.3660phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
propranolol
Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.. propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.		4.0540naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
propyl gallate
Propyl Gallate: Antioxidant for foods, fats, oils, ethers, emulsions, waxes, and transformer oils.		3.110trihydroxybenzoic acid
pyridostigmine
[no description available]		2.0710pyridinium ion
pyrilamine
Pyrilamine: A histamine H1 antagonist. It has mild hypnotic properties and some local anesthetic action and is used for allergies (including skin eruptions) both parenterally and locally. It is a common ingredient of cold remedies.. mepyramine : An ethylenediamine derivative that is ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group.		3.5320aromatic ether;
ethylenediamine derivative		H1-receptor antagonist
pyrimethamine
Maloprim: contains above 2 cpds		2.4620aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
1,2,5,8-tetrahydroxy anthraquinone
1,2,5,8-tetrahydroxy anthraquinone: structure in first source. quinalizarin : A tetrahydroxyanthraquinone having the four hydroxy groups at the 1-, 2-, 5- and 8-positions.		3.110tetrahydroxyanthraquinoneEC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
raloxifene
raloxifene : A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.		2.75301-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols		bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
ranitidine
[no description available]		2.7530aralkylamine
resorcinol
resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3.		2.0210benzenediol;
phenolic donor;
resorcinols		erythropoietin inhibitor;
sensitiser
riluzole
Riluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS.		2.4620benzothiazoles
risperidone
Risperidone: A selective blocker of DOPAMINE D2 RECEPTORS and SEROTONIN 5-HT2 RECEPTORS that acts as an atypical antipsychotic agent. It has been shown to improve both positive and negative symptoms in the treatment of SCHIZOPHRENIA.. risperidone : A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.		2.46201,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
salicyl alcohol
salicyl alcohol: RN given refers to parent cpd; saligenin is the aglycone of salicin; structure; it is oxidatively metabolized to gentisic acid. salicyl alcohol : A hydroxybenzyl alcohol that is phenol substituted by a hydroxymethyl group at C-2.		2.0210aromatic primary alcohol;
hydroxybenzyl alcohol		human urinary metabolite
salicylamide
salamide: a major impurity of hydrochlorothiazide; structure in first source		3.110phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic
sulfadiazine
Sulfadiazine: One of the short-acting SULFONAMIDES used in combination with PYRIMETHAMINE to treat toxoplasmosis in patients with acquired immunodeficiency syndrome and in newborns with congenital infections.. sulfadiazine : A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position.. diazine : The parent structure of the diazines.		2.2110pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
risedronic acid
Risedronic Acid: A pyridine and diphosphonic acid derivative that acts as a CALCIUM CHANNEL BLOCKER and inhibits BONE RESORPTION.		2.0710pyridines
sotalol
Sotalol: An adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmias.. sotalol : A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is substituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias.		2.0710ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
stearic acid
octadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics.		2.0510long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite
sulfabenzamide
sulfabenzamide : A sulfonamide containing a benzamido substituent on nitrogen. An antibacterial/antimicrobial, it is often used in conjunction with sulfathiazole and sulfacetamide as a topical, intravaginal antibacterial preparation.		2.4620benzenes;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antimicrobial drug
sulfadimethoxine
Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.. sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.		3.110aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfamethizole
Sulfamethizole: A sulfathiazole antibacterial agent.. sulfamethizole : A sulfonamide consisting of a 1,3,4-thiadiazole nucleus with a methyl substituent at C-5 and a 4-aminobenzenesulfonamido group at C-2.		2.4620sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfanilamide
[no description available]		2.4620substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazole
Sulfaphenazole: A sulfonilamide anti-infective agent.. sulfaphenazole : A sulfonamide that is sulfanilamide in which the sulfonamide nitrogen is substituted by a 1-phenyl-1H-pyrazol-5-yl group. It is a selective inhibitor of cytochrome P450 (CYP) 2C9 isozyme, and antibacterial agent.		2.0710primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor
sulfasalazine
Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.		2.7530
sulfathiazole
Sulfathiazole: A sulfathiazole compound that is used as a short-acting anti-infective agent. It is no longer commonly used systemically due to its toxicity, but may still be applied topically in combination with other drugs for the treatment of vaginal and skin infections, and is still used in veterinary medicine.. sulfathiazole : A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position.		3.1101,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
sulfinpyrazone
Sulfinpyrazone: A uricosuric drug that is used to reduce the serum urate levels in gout therapy. It lacks anti-inflammatory, analgesic, and diuretic properties.		3.8230pyrazolidines;
sulfoxide		uricosuric drug
sulfobromophthalein
Sulfobromophthalein: A phenolphthalein that is used as a diagnostic aid in hepatic function determination.		2.05102-benzofurans;
organobromine compound;
organosulfonic acid;
phenols		dye
sulpiride
Sulpiride: A dopamine D2-receptor antagonist. It has been used therapeutically as an antidepressant, antipsychotic, and as a digestive aid. (From Merck Index, 11th ed). sulpiride : A member of the class of benzamides obtained from formal condensation between the carboxy group of 2-methoxy-5-sulfamoylbenzoic acid and the primary amino group of (1-ethylpyrrolidin-2-yl)methylamine.		2.0710benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
sumatriptan
Sumatriptan: A serotonin agonist that acts selectively at 5HT1 receptors. It is used in the treatment of MIGRAINE DISORDERS.. sumatriptan : A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults.		2.4620sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
suprofen
Suprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It inhibits prostaglandin synthesis and has been proposed as an anti-arthritic.. suprofen : An aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group.		3.110aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
gatifloxacin
Gatifloxacin: A fluoroquinolone antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used as an ophthalmic solution for the treatment of BACTERIAL CONJUNCTIVITIS.. gatifloxacin : A monocarboxylic acid that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted on the nitrogen by a cyclopropyl group and at positions 6, 7, and 8 by fluoro, 3-methylpiperazin-1-yl, and methoxy groups, respectively. Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial topoisomerase type-II enzymes.		2.4620N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
telenzepine
telenzepine: structure given in first source		2.0510benzodiazepine
temazepam
Temazepam: A benzodiazepine that acts as a GAMMA-AMINOBUTYRIC ACID modulator and anti-anxiety agent.		3.110benzodiazepine
temozolomide
[no description available]		2.0510imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
terazosin
Terazosin: induces decreased blood pressure; used in the treatment of benign prostatic hyperplasia		2.0710furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
terfenadine
Terfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME.		3.8230diarylmethane
thonzylamine
thonzylamine: major descriptor (72-84); file-maintained to PYRIMIDINES		3.110methoxybenzenes
tiaprofenic acid
tiaprofenic acid: RN given refers to parent cpd; structure. tiaprofenic acid : An aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group.		3.110aromatic ketone;
monocarboxylic acid;
thiophenes		drug allergen;
non-steroidal anti-inflammatory drug
ticlopidine
Ticlopidine: An effective inhibitor of platelet aggregation commonly used in the placement of STENTS in CORONARY ARTERIES.. ticlopidine : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group.		2.7530monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
tolazamide
Tolazamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE.. tolazamide : An N-sulfonylurea that is 1-tosylurea in which a hydrogen attached to the nitrogen at position 3 is replaced by an azepan-1-yl group. A hypoglycemic agent, it is used for the treatment of type 2 diabetes mellitus.		2.4620N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide
Tolbutamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290). tolbutamide : An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position.		2.4620N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
tolmetin
Tolmetin: A non-steroidal anti-inflammatory agent (ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL) similar in mode of action to INDOMETHACIN.. tolmetin : A monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug.		2.4620aromatic ketone;
monocarboxylic acid;
pyrroles		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
trifluoperazine
[no description available]		3.8230N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
triflupromazine
Triflupromazine: A phenothiazine used as an antipsychotic agent and as an antiemetic.. triflupromazine : A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(dimethylamino)propyl group at the N-10 position.		3.110organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
trimethadione
Trimethadione: An anticonvulsant effective in absence seizures, but generally reserved for refractory cases because of its toxicity. (From AMA Drug Evaluations Annual, 1994, p378). trimethadione : An oxazolidinone that is 1,3-oxazolidine-2,4-dione substituted by methyl groups at positions 3, 5 and 5. It is an antiepileptic agent.		2.4620oxazolidinoneanticonvulsant;
geroprotector
trimethoprim
Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported.. trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge.		340aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
tripelennamine
Tripelennamine: A histamine H1 antagonist with low sedative action but frequent gastrointestinal irritation. It is used to treat ASTHMA; HAY FEVER; URTICARIA; and RHINITIS; and also in veterinary applications. Tripelennamine is administered by various routes, including topically.		3.110aromatic amine
troglitazone
Troglitazone: A chroman and thiazolidinedione derivative that acts as a PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) agonist. It was formerly used in the treatment of TYPE 2 DIABETES MELLITUS, but has been withdrawn due to hepatotoxicity.		2.9440chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
venlafaxine
venlafaxine : A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group.		2.0710cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
pirinixic acid
pirinixic acid: structure		2.0510aryl sulfide;
organochlorine compound;
pyrimidines
ici 204,219
zafirlukast: a leukotriene D4 receptor antagonist		2.7530carbamate ester;
indoles;
N-sulfonylcarboxamide		anti-asthmatic agent;
leukotriene antagonist
zolpidem
Zolpidem: An imidazopyridine derivative and short-acting GABA-A receptor agonist that is used for the treatment of INSOMNIA.. zolpidem : An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position.		2.7530imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
zomepirac
zomepirac: RN given refers to parent cpd; structure		4.0540aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles		cardiovascular drug;
non-steroidal anti-inflammatory drug
mitomycin
Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis.. mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae.		2.0710mitomycinalkylating agent;
antineoplastic agent
oxyphenonium
Oxyphenonium: A quaternary ammonium anticholinergic agent with peripheral side effects similar to those of ATROPINE. It is used as an adjunct in the treatment of gastric and duodenal ulcer, and to relieve visceral spasms. The drug has also been used in the form of eye drops for mydriatic effect.		2.4620acylcholine
corticosterone
[no description available]		3.11011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
estriol
hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone. chlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl.		3.532016alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid		estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
cephaloridine
Cephaloridine: A cephalosporin antibiotic.. cefaloridine : A cephalosporin compound having pyridinium-1-ylmethyl and 2-thienylacetamido side-groups. A first-generation semisynthetic derivative of cephalosporin C.		2.4620beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
sorbitol
D-glucitol : The D-enantiomer of glucitol (also known as D-sorbitol).		2.4620glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
floxuridine
Floxuridine: An antineoplastic antimetabolite that is metabolized to fluorouracil when administered by rapid injection; when administered by slow, continuous, intra-arterial infusion, it is converted to floxuridine monophosphate. It has been used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.. floxuridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.		2.7530nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
2-aminophenol
[no description available]		3.5120aminophenolbacterial metabolite
isoproterenol hydrochloride
[no description available]		2.4620catechols
thyroxine
Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.. thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.		3.1102-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
spironolactone
Spironolactone: A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827). spironolactone : A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7.		2.46203-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
aldosterone
[no description available]		3.11011beta-hydroxy steroid;
18-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
mineralocorticoid;
primary alpha-hydroxy ketone;
steroid aldehyde		human metabolite;
mouse metabolite
penicillamine
Penicillamine: 3-Mercapto-D-valine. The most characteristic degradation product of the penicillin antibiotics. It is used as an antirheumatic and as a chelating agent in Wilson's disease.. penicillamine : An alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group.		2.0710non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
cysteine
[no description available]		2.1310cysteine zwitterion;
cysteine;
L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid		EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
flour treatment agent;
human metabolite
tetrahydrocortisol
[no description available]		3.11011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3alpha-hydroxy steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
prednisone
Prednisone: A synthetic anti-inflammatory glucocorticoid derived from CORTISONE. It is biologically inert and converted to PREDNISOLONE in the liver.. prednisone : A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid.		4.054011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug
tetrahydrocortisone
[no description available]		3.11021-hydroxy steroid
estrone
Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.		3.823017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
androsterone
[no description available]		3.11017-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid		androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone
etiocholanolone
Etiocholanolone: The 5-beta-reduced isomer of ANDROSTERONE. Etiocholanolone is a major metabolite of TESTOSTERONE and ANDROSTENEDIONE in many mammalian species including humans. It is excreted in the URINE.. 3alpha-hydroxy-5beta-androstan-17-one : An androstanoid that is 5beta-androstane substituted by an alpha-hydroxy group at position 3 and an oxo group at position 17. It is a metabolite of testosterone in mammals.		3.11017-oxo steroid;
3alpha-hydroxy steroid;
androstanoid		human metabolite;
mouse metabolite
dehydroepiandrosterone
Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.. dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands.		3.11017-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid		androgen;
human metabolite;
mouse metabolite
promazine hydrochloride
[no description available]		2.4620hydrochloride
hydroxyacetylaminofluorene
Hydroxyacetylaminofluorene: A N-hydroxylated derivative of 2-ACETYLAMINOFLUORENE that has demonstrated carcinogenic action.		3.1102-acetamidofluorenes
2-acetylaminofluorene
2-Acetylaminofluorene: A hepatic carcinogen whose mechanism of activation involves N-hydroxylation to the aryl hydroxamic acid followed by enzymatic sulfonation to sulfoxyfluorenylacetamide. It is used to study the carcinogenicity and mutagenicity of aromatic amines.		2.05102-acetamidofluorenesantimitotic;
carcinogenic agent;
epitope;
mutagen
idoxuridine
[no description available]		2.4620organoiodine compound;
pyrimidine 2'-deoxyribonucleoside		antiviral drug;
DNA synthesis inhibitor
metaraminol
Metaraminol: A sympathomimetic agent that acts predominantly at alpha-1 adrenergic receptors. It has been used primarily as a vasoconstrictor in the treatment of HYPOTENSION.. metaraminol : A member of the class of phenylethanolamines that is 2-amino-1-phenylethanol substituted by a methyl group at position 2 and a phenolic hydroxy group at position 1. A sympathomimetic agent , it is used in the treatment of hypotension.		2.0710phenylethanolaminesalpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent
pilocarpine
Pilocarpine: A slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma.. (+)-pilocarpine : The (+)-enantiomer of pilocarpine.		2.4620pilocarpineantiglaucoma drug
triiodothyronine
Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.. 3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.		4.05402-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone
isonicotinic acid
isonicotinic acid : A pyridinemonocarboxylic acid in which the carboxy group is at position 4 of the pyridine ring.		2.0510pyridinemonocarboxylic acidalgal metabolite;
human metabolite
carbon tetrachloride
Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups.		2.4620chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
benz(a)anthracene
benz(a)anthracene: 4 fused rings of which one is angular in contrast to the linear NAPHTHACENES. tetraphene : An angular ortho-fused polycyclic arene consisting of four fused benzene rings.		3.110ortho-fused polycyclic arene;
tetraphenes
chloramphenicol
Amphenicol: Chloramphenicol and its derivatives.		4.7950C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
physostigmine
Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity.		2.7630carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
ethinyl estradiol
Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.. 17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration.		4.054017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
aminopyrine
Aminopyrine: A pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of AGRANULOCYTOSIS. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of CYTOCHROME P-450 metabolic activity in LIVER FUNCTION TESTS.. aminophenazone : A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties.		2.0710pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
promethazine hydrochloride
[no description available]		2.4620hydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative
levodopa
Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.. L-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease		2.4620amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
edetic acid
Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive.		3.2710ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid		anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
acetylcholine chloride
acetylcholine chloride : The chloride salt of acetylcholine, and a parasympatomimetic drug.		2.4620quaternary ammonium salt
methoxamine hydrochloride
[no description available]		2.4620dimethoxybenzene
methicillin
Methicillin: One of the PENICILLINS which is resistant to PENICILLINASE but susceptible to a penicillin-binding protein. It is inactivated by gastric acid so administered by injection.. methicillin : A penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 2,6-dimethoxybenzoyl group.		2.2110penicillin allergen;
penicillin		antibacterial drug
zoxazolamine
Zoxazolamine: A uricosuric and muscle relaxant. Zoxazolamine acts centrally as a muscle relaxant, but the mechanism of its action is not understood.		2.0710benzoxazole
leucine
Leucine: An essential branched-chain amino acid important for hemoglobin formation.. leucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.		2.0710amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
aniline
[no description available]		3.110anilines;
primary arylamine
dimethylnitrosamine
Dimethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties. It causes serious liver damage and is a hepatocarcinogen in rodents.		2.4620nitrosaminegeroprotector;
mutagen
lactose
Lactose: A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry.. lactose : A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.. beta-lactose : The beta-anomer of lactose.		2.4620lactose
primaquine phosphate
[no description available]		2.4620
desoxycorticosterone
Desoxycorticosterone: A steroid metabolite that is the 11-deoxy derivative of CORTICOSTERONE and the 21-hydroxy derivative of PROGESTERONE		3.11020-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
colchicine
(S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions.		2.7530alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
gallamine triethiodide
Gallamine Triethiodide: A synthetic nondepolarizing blocking drug. The actions of gallamine triethiodide are similar to those of TUBOCURARINE, but this agent blocks the cardiac vagus and may cause sinus tachycardia and, occasionally, hypertension and increased cardiac output. It should be used cautiously in patients at risk from increased heart rate but may be preferred for patients with bradycardia. (From AMA Drug Evaluations Annual, 1992, p198)		2.4620
uracil mustard
Uracil Mustard: Nitrogen mustard derivative of URACIL. It is a alkylating antineoplastic agent that is used in lymphatic malignancies, and causes mainly gastrointestinal and bone marrow damage.		2.4620aminouracil;
nitrogen mustard
ficusin
Ficusin: A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking.. psoralen : The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia.		2.0810psoralensplant metabolite
chloroform
Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines.		2.4620chloromethanes;
one-carbon compound		carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant
dimethylformamide
Dimethylformamide: A formamide in which the amino hydrogens are replaced by methyl groups.. N,N-dimethylformamide : A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups.		2.0510formamides;
volatile organic compound		geroprotector;
hepatotoxic agent;
polar aprotic solvent
norethindrone
Norethindrone: A synthetic progestational hormone with actions similar to those of PROGESTERONE but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for CONTRACEPTION.. norethisterone : A 17beta-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen.		3.823017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		progestin;
synthetic oral contraceptive
norethynodrel
Norethynodrel: A synthetic progestational hormone with actions and uses similar to those of PROGESTERONE. It has been used in the treatment of functional uterine bleeding and ENDOMETRIOSIS. As a contraceptive (CONTRACEPTIVE AGENTS), it has usually been administered in combination with MESTRANOL.		3.110oxo steroid
17-alpha-hydroxyprogesterone
17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone.		3.11017alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin
ampicillin
Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.. ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group.		3.8530beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
mannitol
[no description available]		2.0210mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
cytarabine
[no description available]		2.0710beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
medroxyprogesterone acetate
[no description available]		2.462020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
mestranol
[no description available]		2.753017beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen
alizarin
[no description available]		3.110dihydroxyanthraquinonechromophore;
dye;
plant metabolite
arginine
Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.		2.4620arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
tert-butylhydroperoxide
tert-Butylhydroperoxide: A direct-acting oxidative stress-inducing agent used to examine the effects of oxidant stress on Ca(2+)-dependent signal transduction in vascular endothelial cells. It is also used as a catalyst in polymerization reactions and to introduce peroxy groups into organic molecules.. tert-butyl hydroperoxide : An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes.		2.5920alkyl hydroperoxideantibacterial agent;
oxidising agent
tromethamine
Tromethamine: An organic amine proton acceptor. It is used in the synthesis of surface-active agents and pharmaceuticals; as an emulsifying agent for cosmetic creams and lotions, mineral oil and paraffin wax emulsions, as a biological buffer, and used as an alkalizer. (From Merck, 11th ed; Martindale, The Extra Pharmacopoeia, 30th ed, p1424)		2.4620primary amino compound;
triol		buffer
linalool
linalool: RN given refers to parent cpd without isomeric designation; structure. linalool : A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum.		3.110monoterpenoid;
tertiary alcohol		antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component
trichloroethylene
Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups.		2.4620chloroethenesinhalation anaesthetic;
mouse metabolite
bisphenol a
4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.		2.0210bisphenolendocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen
1,4-dihydroxyanthraquinone
1,4-dihydroxyanthraquinone: structure given in first source. quinizarin : A dihydroxyanthraquinone having the two hydroxy substituents at the 1- and 4-positions; formally derived from anthraquinone by replacement of two hydrogen atoms by hydroxy groups		3.110dihydroxyanthraquinonedye
cyclizine
Cyclizine: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935). cyclizine : An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group.		3.8230N-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
rotenone
Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus.. rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.		2.4620organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
2,6-dihydroxyanthraquinone
2,6-dihydroxyanthraquinone: structure given in first source. anthraflavic acid : A dihydroxyanthraquinone that is anthracene substituted by hydroxy groups at C-3 and C-7 and oxo groups at C-9 and C-10.		3.110dihydroxyanthraquinoneantimutagen;
plant metabolite
9,10-anthraquinone
9,10-anthraquinone : An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls.		3.110anthraquinone
diquat
Diquat: A contact herbicide used also to produce desiccation and defoliation. (From Merck Index, 11th ed). diquat : The organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide.		2.0510organic cationdefoliant;
herbicide
isosorbide dinitrate
Isosorbide Dinitrate: A vasodilator used in the treatment of ANGINA PECTORIS. Its actions are similar to NITROGLYCERIN but with a slower onset of action.		2.4620glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
hexachlorobutadiene
hexachlorobutadiene: a potent nephrotoxicant in rats; structure		2.0510organochlorine compound
2-tert-butylphenol
[no description available]		2.0210alkylbenzene
2,6-di-tert-butyl-4-hydroxymethylphenol
2,6-di-tert-butyl-4-hydroxymethylphenol: structure given in first source		2.0210alkylbenzene
2-isopropylphenol
2-isopropylphenol: structure given in first source. 2-isopropylphenol : A member of the class of phenols carrying an isopropyl group at position 2.		2.3820phenols
2-nitrophenol
nitrophenol : Any member of the class of phenols or substituted phenols carrying at least 1 nitro group.		2.02102-nitrophenols
2-sec-butylphenol
2-sec-butylphenol: RN given refers to parent cpd. 2-sec-butylphenol : A member of the class of phenols that is phenol carrying a butan-2-yl group at position 2.		1.9510phenols
thymol
Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.. thymol : A phenol that is a natural monoterpene derivative of cymene.		3.4820monoterpenoid;
phenols		volatile oil component
2-ethylphenol
2-ethylphenol: structure in first source		2.0210phenols
1-naphthol
1-naphthol: RN given refers to parent cpd. 1-naphthol : A naphthol carrying a hydroxy group at position 1.. hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups.		3.110naphtholgenotoxin;
human xenobiotic metabolite
2-aminodiphenyl
aminobiphenyl : Any member of the class of biphenyls in which the biphenyl skeleton is substituted by at least one amino group.		3.110
2-phenylphenol
2-phenylphenol: RN given refers to parent cpd; structure. biphenyl-2-ol : A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits.		3.110hydroxybiphenylsantifungal agrochemical;
environmental food contaminant
pyrogallol 1,3-dimethyl ether
pyrogallol 1,3-dimethyl ether: structure. 2,6-dimethoxyphenol : A member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6.		2.0210dimethoxybenzene;
phenols		plant metabolite
quinoline
[no description available]		3.110azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines
2-naphthylamine
2-Naphthylamine: A naphthalene derivative with carcinogenic action.. 2-naphthylamine : A naphthylamine carrying the amino group at position 2.		3.110naphthylaminecarcinogenic agent
4-biphenylamine
4-biphenylamine: used in detection of sulfates, & as a carcinogen in cancer research; RN given refers to parent cpd; structure. biphenyl-4-amine : An aminobiphenyl that is biphenyl substituted by an amino group at position 4.		3.110aminobiphenylcarcinogenic agent
4-phenylphenol
4-phenylphenol: RN given refers to cpd without isomeric designation. biphenyl-4-ol : A member of the class of hydroxybiphenyls that is biphenyl carrying a hydroxy group at position 4.		3.110hydroxybiphenyls
phenothiazine
10H-phenothiazine : The 10H-tautomer of phenothiazine.		2.4620phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
benzidine
benzidine: RN given refers to parent cpd. benzidine : A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group.		3.110biphenyls;
substituted aniline		carcinogenic agent
4,4'-dihydroxybiphenyl
biphenyl-4,4'-diol : A member of the class of hydroxybiphenyls that is biphenyl with hydroxy groups at positions 4 and 4'.		3.110hydroxybiphenyls
veratric acid
veratric acid: RN given refers to parent cpd; structure. 3,4-dimethoxybenzoic acid : A member of the class of benzoic acids that is benzoic acid substituted by methoxy groups at positions 2 and 3.		2.0810benzoic acidsallergen;
plant metabolite
propylparaben
Parabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872)		3.110benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent
2-bromophenol
bromophenol : A halophenol that is any phenol containing one or more covalently bonded bromine atoms.		2.7330bromophenolmarine metabolite
2-chlorophenol
chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms.		2.02102-halophenol;
monochlorophenol
2-amino-4-methylphenol
2-amino-4-methylphenol: structure in first source		2.0210
2,4-di-tert-butylphenol
2,4-di-tert-butylphenol: structure given in first source. 2,4-di-tert-butylphenol : A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 4.		2.3820alkylbenzene;
phenols		antioxidant;
bacterial metabolite;
marine metabolite
butylphen
butylphen: irritant; structure. 4-tert-butylphenol : A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4.		3.830phenolsallergen
3-dimethylaminophenol
[no description available]		2.0210
methyl gallate
methyl gallate: has both immunosuppressive and phytogenic antineoplastic activities; isolated from Acer saccharinum. methyl 3,4,5-trihydroxybenzoate : A gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties.		2.0710gallate esteranti-inflammatory agent;
antioxidant;
plant metabolite
3-dinitrobenzene
dinitrobenzene : Any member of the class of nitrobenzenes that consists of a benzene ring substituted by two nitro groups. A closed class.. 1,3-dinitrobenzene : A dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups.		2.0510dinitrobenzeneneurotoxin
methylparaben
methylparaben: used as a preservative in cosmetics but potentiates UV-induced damage of skin; RN given refers to parent cpd. methylparaben : A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries.		3.110parabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite
4-isopropylphenol
[no description available]		3.4820phenolsflavouring agent
4-hydroxyacetophenone
4-hydroxyacetophenone: promotes secretion of bile & bile salts, which promotes griseofulvin absorption in the duodenum. 4'-hydroxyacetophenone : A monohydroxyacetophenone carrying a hydroxy substituent at position 4'.		3.5120monohydroxyacetophenonefungal metabolite;
mouse metabolite;
plant metabolite
4-anisic acid
4-methoxybenzoic acid: structure in first source. 4-methoxybenzoic acid : A methoxybenzoic acid substituted with a methoxy group at position C-4.		2.0810methoxybenzoic acidplant metabolite
4-nitroanisole
4-nitroanisole: dye intermediate; organic synthesis; structure. 4-nitroanisole : A member of the class of 4-nitroanisoles that is anisole in which one the hydrogen meta to the methoxy group is replaced by a nitro group.		1.96104-nitroanisoles
pyridostigmine bromide
Pyridostigmine Bromide: A cholinesterase inhibitor with a slightly longer duration of action than NEOSTIGMINE. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants.		2.4620pyridinium salt
4-benzylphenol
4-benzylphenol: metabolite of diphenylmethane; RN given refers to parent cpd		3.110
4,4'-diaminodiphenylmethane
4,4'-diaminodiphenylmethane: RN given refers to parent cpd; structure. 4,4'-diaminodiphenylmethane : An aromatic amine that is diphenylmethane substituted at the 4-position of each benzene ring by an amino group.		2.4620aromatic amineallergen;
carcinogenic agent
phenylisothiocyanate
phenylisothiocyanate: structure. phenyl isothiocyanate : An isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation.		2.4620isothiocyanateallergen;
reagent
2-ethylhexanol
[no description available]		3.110primary alcoholplant metabolite;
volatile oil component
2,4-dimethylphenol
2,4-dimethylphenol: RN given refers to parent cpd. 2,4-xylenol : A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4.		2.3820aromatic fungicide;
phenols		disinfectant;
volatile oil component
4-bromophenol
4-bromophenol : A bromophenol containing only hydroxy and bromo substituents that are para to one another.		2.7330bromophenolhuman urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite
2-bromoethylamine
[no description available]		2.4620
allyl alcohol
allyl alcohol: structure. allylic alcohol : An alcohol where the hydroxy group is attached to a saturated carbon atom adjacent to a double bond (R groups may be H, organyl, etc.).. allyl alcohol : A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds.		2.4620primary allylic alcohol;
propenol		antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite
3-chlorophenol
3-chlorophenol : A monochlorophenol carrying the chloro substituent at position 3.		2.0210monochlorophenol
bromobenzene
[no description available]		2.4620bromoarene;
bromobenzenes;
volatile organic compound		hepatotoxic agent;
mouse metabolite;
non-polar solvent
triethylene glycol dimethacrylate
[no description available]		2.0510
n-pentanoic acid
n-pentanoic acid: RN given refers to unlabeled parent cpd. valeric acid : A straight-chain saturated fatty acid containing five carbon atoms.		2.0510short-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
pelargonic acid
pelargonic acid: K salt acts as cariostatic agent; RN given refers to parent cpd; structure. nonanoic acid : A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers.		2.0510medium-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
antifeedant;
Daphnia magna metabolite;
plant metabolite
undecanoic acid
undecanoic acid : A straight-chain, eleven-carbon saturated medium-chain fatty acid found in body fluids; the most fungitoxic of the C7:0 - C18:0 fatty acid series.. undecanoate : A medium-chain fatty acid anion that is the conjugate base of undecanoic acid; used in tandem with testosterone cation in the treatment of male hypogonadism. Major species at pH 7.3.		2.0510medium-chain fatty acid;
straight-chain saturated fatty acid		antifungal agent;
human metabolite
behenic acid
behenic acid: RN given refers to parent cpd; structure. docosanoic acid : A straight-chain, C22, long-chain saturated fatty acid.		2.0510long-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
imipramine hydrochloride
[no description available]		2.7130hydrochlorideantidepressant
neostigmine bromide
neostigmine bromide : The bromide salt of neostigmine.		2.0710bromide salt
2,2,2-trichloroethanol
[no description available]		3.110chloroethanolmouse metabolite
mephobarbital
Mephobarbital: A barbiturate that is metabolized to PHENOBARBITAL. It has been used for similar purposes, especially in EPILEPSY, but there is no evidence mephobarbital offers any advantage over PHENOBARBITAL.. mephobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups.		2.4620barbituratesanticonvulsant
edrophonium chloride
edrophonium chloride : The chloride salt of edrophonium. A reversible inhibitor of cholinesterase with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes), it is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals.		2.4620chloride salt;
quaternary ammonium salt		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
anthrarufin
1,5-dihydroxyanthraquinone: used in ferric ion sensing as an inclusion complex with beta-cyclodextrin; structure in first source. anthrarufin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5.		3.110dihydroxyanthraquinone
2-toluic acid
2-toluic acid: RN given refers to parent cpd; structure. o-toluic acid : A methylbenzoic acid that is benzoic acid substituted by a methyl group at position 2.		3.110methylbenzoic acidxenobiotic metabolite
ethyl-p-hydroxybenzoate
ethyl-p-hydroxybenzoate: structure		3.110ethyl ester;
paraben		antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite
3-tert-butyl-4-hydroxyanisole
3-tert-butyl-4-hydroxyanisole : An aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group.		3.110aromatic ether;
phenols		antioxidant;
human xenobiotic metabolite
vanillic acid
Vanillic Acid: A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13).. vanillic acid : A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3.		3.8830methoxybenzoic acid;
monohydroxybenzoic acid		plant metabolite
di-n-pentyl phthalate
dipentyl phthalate : A phthalate ester that is the dipentyl ester of benzene-1,2-dicarboxylic acid.		2.4620diester;
phthalate ester		plasticiser
cinchophen
cinchophen: was heading 1963-94; ACIPHENOCHINOLIUM was see CHINOPHEN 1978-94; use QUINOLINES to search CINCHOPHEN 1966-94		2.4620quinolines
1-naphthylamine
1-Naphthylamine: A suspected industrial carcinogen (and listed as such by OSHA). Its N-hydroxy metabolite is strongly carcinogenic and mutagenic.. naphthylamine : A primary arylamine that is naphthalene substituted by an amino group at unspecified position.. 1-naphthylamine : A naphthylamine that is naphthalene substituted by an amino group at position 1.		3.110naphthylaminehuman xenobiotic metabolite
syringaldehyde
syringaldehyde: isolated from nonfermented fiber fractions of oat hulls and cottonseed hulls. syringaldehyde : A hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity.		2.0210dimethoxybenzene;
hydroxybenzaldehyde		hypoglycemic agent;
plant metabolite
2-naphthol
2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent.		3.110naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger
phenazopyridine hydrochloride
phenazopyridine hydrochloride : A hydrochloride obtained by combining phenazopyridine with one equivalent of hydrochloric acid. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.		2.4620hydrochloridecarcinogenic agent;
local anaesthetic;
non-narcotic analgesic
tetrracaine hydrochloride
leocaine: a crystal beta-modification of the beta-dimethylaminoethyl ether of n-butylaminobenzoic acid hydrochloride		2.4620benzoate ester
shikimic acid
Shikimic Acid: A tri-hydroxy cyclohexene carboxylic acid important in biosynthesis of so many compounds that the shikimate pathway is named after it.. shikimic acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms.		3.110alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
citronellol
citronellol: alcohol form of citronellal; found in rose oil; RN given refers to parent cpd without isomeric designation; structure. citronellol : A monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7.. insect repellent : An insecticide that acts as a repellent to insects.		3.110monoterpenoidplant metabolite
hexanoic acid
hexanoic acid : A C6, straight-chain saturated fatty acid.		3.110medium-chain fatty acid;
straight-chain saturated fatty acid		human metabolite;
plant metabolite
pregnenolone
[no description available]		3.11020-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid		human metabolite;
mouse metabolite
diphenhydramine hydrochloride
Antitussive Agents: Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.. diphenhydramine hydrochloride : The hydrochloride salt of diphenhydramine.		2.4620hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
ditiocarb
Ditiocarb: A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM.. diethyldithiocarbamic acid : A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur.		3.110dithiocarbamic acidschelator;
copper chelator
3-hydroxyanisole
3-hydroxyanisole: structure in first source. 3-methoxyphenol : A member of the class of phenols that is phenol having a methoxy-substituent at the 3-position.		2.0210monomethoxybenzene;
phenols
mequinol
mequinol: depigmenting agent; RN given refers to parent cpd		4.3430methoxybenzenes;
phenols		metabolite
catechin
Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.		4.5940catechinantioxidant;
plant metabolite
tripelennamine hydrochloride
[no description available]		2.4620
phenetidine
Phenetidine: Used in the manufacture of acetophenetidin.. 4-ethoxyaniline : An aromatic ether that is aniline in which the hydrogen at position 4 is replaced by an ethoxy group. It is a hydrolysis metabolite of phenacetin.		3.110aromatic ether;
primary amino compound;
substituted aniline		drug metabolite
ethynodiol diacetate
Ethynodiol Diacetate: A synthetic progestational hormone used alone or in combination with estrogens as an oral contraceptive (CONTRACEPTIVES, ORAL).		2.4620steroid ester;
terminal acetylenic compound		contraceptive drug;
estrogen receptor modulator;
synthetic oral contraceptive
hydrazine
diamine : Any polyamine that contains two amino groups.		2.4620azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
monocrotaline
Monocrotaline: A pyrrolizidine alkaloid and a toxic plant constituent that poisons livestock and humans through the ingestion of contaminated grains and other foods. The alkaloid causes pulmonary artery hypertension, right ventricular hypertrophy, and pathological changes in the pulmonary vasculature. Significant attenuation of the cardiopulmonary changes are noted after oral magnesium treatment.		2.4620pyrrolizidine alkaloid
azacitidine
Azacitidine: A pyrimidine analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent.. 5-azacytidine : An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia.		2.4620N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
pseudoephedrine hydrochloride
pseudoephedrine hydrochloride : A hydrochloride that is the monohydrochloride salt of pseudoephedrine.		2.4620hydrochlorideplant metabolite
galantamine
Galantamine: A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders.. galanthamine : A benzazepine alkaloid isolated from certain species of daffodils.		2.7830benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
procarbazine hydrochloride
procarbazine hydrochloride : A hydrochloride obtained by combining procarbazine with one equivalent of hydrochloric acid. An antineoplastic chemotherapy drug used for treatment of Hodgkin's lymphoma. Metabolism yields azo-procarbazine and hydrogen peroxide, which results in the breaking of DNA strands.		2.4620hydrochlorideantineoplastic agent
2-fluorophenol
fluorophenol : A halophenol that is any phenol containing one or more covalently bonded fluorine atoms.		2.0210
4-fluorophenol
4-fluorophenol: structure given in first source. 4-fluorophenol : A fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine.		2.0210fluorophenol;
monofluorobenzenes
3-fluorophenol
3-fluorophenol: structure in first source		2.0210
betamethasone
Betamethasone: A glucocorticoid given orally, parenterally, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. Its lack of mineralocorticoid properties makes betamethasone particularly suitable for treating cerebral edema and congenital adrenal hyperplasia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p724)		2.462011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent
4-hydroxyphenobarbital
[no description available]		3.110barbiturates
cyproterone acetate
[no description available]		2.462020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin
lithocholic acid
Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.. lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action.. lithocholate : A bile acid anion that is the conjugate base of lithocholic acid.		3.8230bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid		geroprotector;
human metabolite;
mouse metabolite
4-methylcatechol
[no description available]		2.0210methylcatecholantioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite
glycyrrhetinic acid
[no description available]		2.0710cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
chenodeoxycholic acid
Chenodeoxycholic Acid: A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones.. chenodeoxycholic acid : A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.. chenodeoxycholate : Conjugate base of chenodeoxycholic acid; major species at pH 7.3.		3.8230bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
epitestosterone
Epitestosterone: The 17-alpha isomer of TESTOSTERONE, derived from PREGNENOLONE via the delta5-steroid pathway, and via 5-androstene-3-beta,17-alpha-diol. Epitestosterone acts as an antiandrogen in various target tissues. The ratio between testosterone/epitestosterone is used to monitor anabolic drug abuse.. epitestosterone : An androstanoid that is the C-17 epimer of testosterone.		3.11017alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen antagonist;
human metabolite
chrysophanic acid
chrysophanic acid: RN given refers to parent cpd; structure in Merck, 9th ed, #2260. chrysophanol : A trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity.		3.110dihydroxyanthraquinoneanti-inflammatory agent;
antiviral agent;
plant metabolite
emetine
Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties.		2.2110isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
osthol
osthol: from Cnidium monnieri and Angelica pubescens (both Apiaceae); structure given in first source		2.1510botanical anti-fungal agent;
coumarins		metabolite
topanol 354
Topanol 354: structure		4.0540methoxybenzenes;
phenols
carvacrol
carvacrol : A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1).		3.4820botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols		agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component
4-hydroxyphenylethanol
4-hydroxyphenylethanol: in chest gland secretion of galagos. 2-(4-hydroxyphenyl)ethanol : A phenol substituted at position 4 by a 2-hydroxyethyl group.		2.0510phenolsanti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent
phloretic acid
phloretic acid: structure. N-hydroxysuccinimide ester : An ester of N-hydroxysuccinimide.. phloretic acid : A hydroxy monocarboxylic acid consisting of propionic acid having a 4-hydroxyphenyl group at the 3-position.		2.0510hydroxy monocarboxylic acidplant metabolite
margaric acid
margaric acid: RN given refers to unlabeled parent cpd. heptadecanoic acid : A C17 saturated fatty acid and trace component of fats in ruminants.		2.0510long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
mammalian metabolite
arachidic acid
icosanoic acid : A C20 striaght-chain saturated fatty acid which forms a minor constituent of peanut (L. arachis) and corn oils. Used as an organic thin film in the production of liquid crystals for a wide variety of technical applications.		2.0510long-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
podophyllotoxin
Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.		2.110furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
androstenediol
Androstenediol: An intermediate in TESTOSTERONE biosynthesis, found in the TESTIS or the ADRENAL GLANDS. Androstenediol, derived from DEHYDROEPIANDROSTERONE by the reduction of the 17-keto group (17-HYDROXYSTEROID DEHYDROGENASES), is converted to TESTOSTERONE by the oxidation of the 3-beta hydroxyl group to a 3-keto group (3-HYDROXYSTEROID DEHYDROGENASES).. androst-5-ene-3beta,17beta-diol : A 3beta-hydroxy-Delta(5)-steroid that is 3beta-hydroxyandrost-5-ene carrying an additional hydroxy group at position 17beta.		3.11017beta-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid		androgen;
human metabolite;
mouse metabolite;
radiation protective agent
dihydrotestosterone
Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.. 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5.		3.11017beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
tryptophol
tryptophol : An indolyl alcohol that is ethanol substituted by a 1H-indol-3-yl group at position 2.		2.0510indolyl alcoholauxin;
plant metabolite;
Saccharomyces cerevisiae metabolite
2,4,6-trimethylphenol
[no description available]		3.5720hydroxytoluene
1,2,3,4-tetrahydro-1-naphthalenol
1,2,3,4-tetrahydro-1-naphthalenol: structure in first source		3.110
syringic acid
syringic acid: RN given refers to parent cpd; structure in third source. syringic acid : A dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid.		3.6120benzoic acids;
dimethoxybenzene;
phenols		plant metabolite
herniarin
herniarin: methoxy analog of umbelliferone; structure. herniarin : A member of the class of coumarins that is coumarin substituted by a methoxy group at position 7.		2.0510coumarinsfluorochrome
2-iodophenol
[no description available]		2.02102-halophenol;
iodophenol
methamphetamine
Methamphetamine: A central nervous system stimulant and sympathomimetic with actions and uses similar to DEXTROAMPHETAMINE. The smokable form is a drug of abuse and is referred to as crank, crystal, crystal meth, ice, and speed.. methamphetamine : A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent.		2.0710amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
4-iodophenol
[no description available]		3.5120iodophenol
myristic acid
Myristic Acid: A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed). tetradecanoic acid : A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.. tetradecanoate : A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3.		3.5320long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite
amitriptyline hydrochloride
[no description available]		2.4620organic tricyclic compound
1-naphthylisothiocyanate
1-Naphthylisothiocyanate: A tool for the study of liver damage which causes bile stasis and hyperbilirubinemia acutely and bile duct hyperplasia and biliary cirrhosis chronically, with changes in hepatocyte function. It may cause skin and kidney damage.		2.4620isothiocyanateinsecticide
3-nitrophenol
[no description available]		2.02103-nitrophenols
lignoceric acid
lignoceric acid: RN given refers to parent cpd; structure. tetracosanoic acid : A C24 straight-chain saturated fatty acid.		2.0510straight-chain saturated fatty acid;
very long-chain fatty acid		Daphnia tenebrosa metabolite;
human metabolite;
plant metabolite;
volatile oil component
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol: structure in first source. 4-terpineol : A terpineol that is 1-menthene carrying a hydroxy substituent at position 4.		3.110terpineol;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component
2,6-xylenol
[no description available]		2.6930hydroxytoluene
3-hydroxyflavone
3-hydroxyflavone: structure given in first source. flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone.		3.520flavonols;
monohydroxyflavone
8-aminoquinoline
[no description available]		210
isoxsuprine hydrochloride
[no description available]		2.4620alkylbenzene
6-hydroxyquinoline
quinolin-6-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 6.		3.110monohydroxyquinoline
3-hydroxybiphenyl
3-hydroxybiphenyl: structure given in first source. biphenyl-3-ol : A member of the class of hydroxybiphenyls that is phenol in which the hydrogen at position 3 has been replaced by a phenyl group.		3.110hydroxybiphenyls
diphenylamine
Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.. diphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union.		3.110aromatic amine;
bridged diphenyl fungicide;
secondary amino compound		antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger
betaine hydrochloride
[no description available]		2.4620
3-bromophenol
[no description available]		2.0210
3-aminophenol
3-aminophenol: RN given refers to parent cpd. 3-aminophenol : An aminophenol that is one of three amino derivatives of phenol which has the single amino substituent located meta to the phenolic -OH group.		2.0210aminophenol
alpha-naphthoflavone
alpha-naphthoflavone: inhibits P4501A1 and P4501A2; stimulates some activities of P4503A4. alpha-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14).		3.110extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist;
aryl hydrocarbon receptor antagonist;
EC 1.14.14.14 (aromatase) inhibitor
2-cyanophenol
2-cyanophenol: structure in first source		2.0210benzenes;
nitrile
acetylcysteine
N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.		3.8730acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
3-ethylphenol
[no description available]		2.0210phenols
3-hydroxyacetanilide
metacetamol : A derivative of phenol which has an acetamido substituent located meta to the phenolic -OH group. It is a non-toxic regioisomer of paracetamol with analgesic properties, but has never been marketed as a drug.		2.7330acetamides;
phenols		non-narcotic analgesic
4-Ethoxyphenol
[no description available]		2.0210aromatic ether;
phenols
methoxyacetic acid
methoxyacetic acid: RN given refers to parent cpd. methoxyacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a methoxy group.		2.4620ether;
monocarboxylic acid		antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen
propyl nitrate
propyl nitrate: C3-H7-N-O3		2.4320
phendimetrazine
phendimetrazine: minor descriptor (66-86); file maintained to MORPHOLINES (66-86); on-line & INDEX MEDICUS search MORPHOLINES (66-86); RN given refers to parent cpd without isomeric designation		2.0710
tridecanoic acid
tridecanoate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of tridecanoic acid.. tridecanoic acid : A C13 straight-chain saturated fatty acid.		2.0510long-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
erythromycin
Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.. erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).. erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.		2.7530cyclic ketone;
erythromycin
2-propylphenol
2-propylphenol : A member of the class of phenols that is phenol which is substituted by a propyl group at position 2.		2.0210phenolsflavouring agent;
plant metabolite
isovanillic acid
3-hydroxy-4-methoxybenzoic acid : A methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3.		2.0810methoxybenzoic acid;
monohydroxybenzoic acid		antibacterial agent;
plant metabolite
4-propylphenol
4-propylphenol: structure given in first source		3.5120alkylbenzene
nonadecanoic acid
nonadecanoic acid : A C19 straight-chain fatty acid of plant or bacterial origin. An intermediate in the biodegradation of n-icosane, it has been shown to inhibit cancer growth.		2.0510long-chain fatty acid;
straight-chain saturated fatty acid		fungal metabolite
2,4,6-tri-tert-butylphenol
[no description available]		2.0210
4-cyanophenol
4-cyanophenol: reversible monoamine oxidase inhibitor		2.0210phenolsEC 1.4.3.4 (monoamine oxidase) inhibitor
4-phenoxyphenol
[no description available]		2.0210phenoxyphenol
hexafluoroisopropanol
1,1,1,3,3,3-hexafluoropropan-2-ol : An organofluorine compound formed by substitution of all the methyl protons in propan-2-ol by fluorine. It is a metabolite of inhalation anesthetic sevoflurane.		3.110organofluorine compound;
secondary alcohol		drug metabolite
cyproheptadine hydrochloride (anhydrous)
cyproheptadine hydrochloride (anhydrous) : The hydrochloride salt of cyproheptadine. Note that the drug named cyproheptadine hydrochloride generally refers to cyproheptadine hydrochloride sesquihydrate.		2.4620hydrochloride
ethambutol
Ethambutol: An antitubercular agent that inhibits the transfer of mycolic acids into the cell wall of the tubercle bacillus. It may also inhibit the synthesis of spermidine in mycobacteria. The action is usually bactericidal, and the drug can penetrate human cell membranes to exert its lethal effect. (From Smith and Reynard, Textbook of Pharmacology, 1992, p863). ethambutol : An ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone.		2.1110ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
ethidium bromide
[no description available]		2.0810organic bromide saltgeroprotector;
intercalator;
trypanocidal drug
vancomycin
Vancomycin: Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear.. vancomycin : A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile.		2.7830glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
d-alpha tocopherol
Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils.		6.34290alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
3,5-di-tert-butyl-4-hydroxybenzoic acid
[no description available]		2.0810
pregnenolone carbonitrile
Pregnenolone Carbonitrile: A catatoxic steroid and microsomal enzyme inducer having significant effects on the induction of cytochrome P450. It has also demonstrated the potential for protective capability against acetaminophen-induced liver damage.		2.0510aliphatic nitrile
ibufenac
ibufenac: used in the treatment of rheumatism; also possesses antipyretic properties; minor descriptor (75-84); on-line & Index Medicus search PHENYLACETATES (75-84); RN given refers to parent cpd. ibufenac : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 4-isobutylphenyl group. Although it was shown to be effective in treatment of rheumatoid arthritis, the clinical use of ibufenac was discontinued due to hepatotoxic side-effects.		2.4620monocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
bisphenol a-glycidyl methacrylate
Bisphenol A-Glycidyl Methacrylate: The reaction product of bisphenol A and glycidyl methacrylate that undergoes polymerization when exposed to ultraviolet light or mixed with a catalyst. It is used as a bond implant material and as the resin component of dental sealants and composite restorative materials.		2.0510diarylmethane
fenchol
fenchol: RN given refers to cpd with unspecified isomeric designation		3.110
4-n-Butylphenol
[no description available]		3.5120phenols
diphenyldiselenide
diphenyldiselenide: structure given in first source		2.8630
4-hydroxyazobenzene
4-hydroxyazobenzene: structure in first source		3.110
2,3,7,8-tetrachlorodibenzodioxine
Tetrachlorodibenzodioxin: A mixture of isomers.		2.0510polychlorinated dibenzodioxine
4-octylphenol
4-octylphenol: xenoestrogen. 4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group.		2.0210phenolsmetabolite;
surfactant;
xenoestrogen
4-nitrothiophenolate
4-nitrothiophenolate: RN given refers to parent cpd		3.110
5 alpha-androstane-3 alpha,17 beta-diol
5alpha-androstane-3alpha,17beta-diol : The 5alpha-stereoisomer of androstane-3alpha,17beta-diol.		3.110androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite
paraquat
Paraquat: A poisonous dipyridilium compound used as contact herbicide. Contact with concentrated solutions causes irritation of the skin, cracking and shedding of the nails, and delayed healing of cuts and wounds.. paraquat : An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions.		2.4620organic cationgeroprotector;
herbicide
2-tert-butylhydroquinone
2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent. 2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group.		2.9440hydroquinonesfood antioxidant
pimozide
Pimozide: A diphenylbutylpiperidine that is effective as an antipsychotic agent and as an alternative to HALOPERIDOL for the suppression of vocal and motor tics in patients with Tourette syndrome. Although the precise mechanism of action is unknown, blockade of postsynaptic dopamine receptors has been postulated. (From AMA Drug Evaluations Annual, 1994, p403). pimozide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group.		2.4620benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
menthol
(+-)-menthol : A racemate comprising equimolar amounts of (+)- and (-)-menthol. Both (+-)- and (-)-menthol are used to relieve symptoms of conditions such as bronchitis and sinusitis. When applied to the skin, menthol dilates the blood vessels, giving a sensation of coldness followed by an analgesic effect that relieves itching. It is therefore used in creams and ointments for the relief of pruritis and urticaria.. (-)-menthol : A p-menthan-3-ol which has (1R,2S,5R)-stereochemistry. It is the most common naturally occurring enantiomer.		3.110p-menthan-3-olantipruritic drug;
antispasmodic drug;
antitussive
heneicosanoic acid
henicosanoic acid : A long-chain fatty acid that is henicosane in which one of the methyl groups has been oxidised to give the corresponding carboxylic acid.		2.0510long-chain fatty acid;
straight-chain saturated fatty acid
2-tert-butyl-4-methylphenol
2-tert-butyl-4-methylphenol: RN given refers to cpd with locants		2.3820
tricosanoic acid
tricosanoic acid : A very long-chain fatty acid that is tricosane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid.		2.0510straight-chain saturated fatty acid;
very long-chain fatty acid		Daphnia magna metabolite;
human metabolite;
plant metabolite
sulfadoxine
Sulfadoxine: A long acting sulfonamide that is used, usually in combination with other drugs, for respiratory, urinary tract, and malarial infections.. sulfadoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 5- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. In combination with the antiprotozoal pyrimethamine (CHEBI:8673) it is used as an antimalarial.		2.0710pyrimidines;
sulfonamide		antibacterial drug;
antimalarial
acetosyringone
acetosyringone: plant inducer which induces expression of VirE & VirG in A. tumefaciens. acetosyringone : A member of the class of acetophenones that is 1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5.		2.0210acetophenones;
dimethoxybenzene;
phenols		anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite
hydroxyphenytoin
hydroxyphenytoin: main metabolite of diphenylhydantoin; reduces Na(+) inhibition at high Na:K ratios; RN given refers to cpd without isomeric designation; structure. 4-hydroxyphenytoin : A imidazolidine-2,4-dione that consists of hydantoin bearing phenyl and 4-hydroxyphenyl substituents at position 5.		3.110imidazolidine-2,4-dione;
phenols		metabolite
stavudine
Stavudine: A dideoxynucleoside analog that inhibits reverse transcriptase and has in vitro activity against HIV.. stavudine : A nucleoside analogue obtained by formal dehydration across positions 2 and 3 of thymidine. An inhibitor of HIV-1 reverse transcriptase		2.7530dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
streptomycin
[no description available]		3.1750antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
azatadine
azatadine: indulian (UD 21;71k) is dimaleate; do not confuse with AZACITIDINE. azatadine : A benzo[5,6]cyclohepta[1,2-b]pyridine having a 1-methylpiperidin-4-ylidene group at the 11-position.		3.4110benzocycloheptapyridine;
tertiary amine		anti-allergic agent;
H1-receptor antagonist
clonidine hydrochloride
[no description available]		2.4620dichlorobenzene
cladribine
[no description available]		2.4620organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
mono-(2-ethylhexyl)phthalate
mono-(2-ethylhexyl)phthalate: RN given refers to parent cpd. mono(2-ethylhexyl) phthalate : The mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.		3.110phthalic acid monoester
beclomethasone
[no description available]		2.071011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug
ethylene dimethanesulfonate
ethylene dimethanesulfonate: antispermatogenic agent; structure		2.4620
1-naphthalenemethanol
1-naphthalenemethanol: structure given in first source. (1-naphthyl)methanol : A naphthylmethanol that is methanol in which one of the hydrogens of the methyl group is replaced by a naphthalen-1-yl group.		3.110naphthylmethanolmouse metabolite
dexpropranolol
[no description available]		3.110propranolol
mexiletine hydrochloride
mexiletine hydrochloride : A hydrochloride composed of equimolar amounts of mexiletine and hydrogen chloride.		2.4620hydrochlorideanti-arrhythmia drug
beclomethasone dipropionate
beclomethasone dipropionate : A steroid ester comprising beclomethasone having propionyl groups at the 17- and 21-positions.		2.462011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
enone;
glucocorticoid;
propanoate ester;
steroid ester		anti-arrhythmia drug;
anti-asthmatic drug;
anti-inflammatory drug;
prodrug
vidarabine
adenine arabinoside : A purine nucleoside in which adenine is attached to arabinofuranose via a beta-N(9)-glycosidic bond.		2.4620beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
propylene glycol dinitrate
propylene glycol dinitrate: major volatile constituent of Otto Fuel II liquid propellant that causes vasodilation, lowered blood pressure, methemoglobin formation; monoamine oxidase inhibitor		2.0310
metoclopramide hydrochloride
metoclopramide hydrochloride : A hydrate that is the monohydrate form of metoclopramide monohydrochloride.		2.4620
palladium
Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46.		2.1110metal allergen;
nickel group element atom;
platinum group metal atom
zalcitabine
Zalcitabine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication at low concentrations, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal toxic side effect is axonal degeneration resulting in peripheral neuropathy.. zalcitabine : A pyrimidine 2',3'-dideoxyribonucleoside compound having cytosine as the nucleobase.		2.4620pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
butylated hydroxyanisole
[no description available]		4.91110
ethyl 4-dimethylaminobenzoate
ethyl 4-dimethylaminobenzoate: slow-acting amine polymerization accelerator. parbenate : A benzoate ester that is ethyl benzoate substituted by a dimethylamino group at position 4.		2.0510benzoate ester;
ethyl ester;
tertiary amino compound
camphoroquinone
camphoroquinone: a natural monoterpene, non-aromatic quinone; structure given in first source. bornane-2,3-dione : A bornane monoterpenoid that is bicyclo[2.2.1]heptane substituted by methyl groups at positions 1, 7 and 7 and oxo groups at positions 2 and 3.		2.0510bornane monoterpenoid;
carbobicyclic compound
carbendazim
carbendazim: carcinogen when combined with sodium nitrite; principle metabolite of thiophanate methyl & benomyl; structure. carbendazim : A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables.		2.4620benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent
ammonium chloride
Ammonium Chloride: An acidifying agent that has expectorant and diuretic effects. Also used in etching and batteries and as a flux in electroplating.. ammonium chloride : An inorganic chloride having ammonium as the counterion.		210ammonium salt;
inorganic chloride		ferroptosis inhibitor
ethionine
L-ethionine : An S-ethylhomocysteine that has S-configuration at the chiral centre.		2.4620S-ethylhomocysteineantimetabolite;
carcinogenic agent
6-thiocaffeine
[no description available]		2.1310
3-hydroxybenzo(a)pyrene
3-hydroxybenzo(a)pyrene: RN given refers to unlabeled parent cpd		3.110ortho- and peri-fused polycyclic arene
selegiline
Selegiline: A selective, irreversible inhibitor of Type B monoamine oxidase that is used for the treatment of newly diagnosed patients with PARKINSON DISEASE, and for the treatment of depressive disorders. The compound without isomeric designation is Deprenyl.		2.0710selegiline;
terminal acetylenic compound		geroprotector
4-n-Pentylphenol
[no description available]		3.5120phenols
clemastine
Clemastine: A histamine H1 antagonist used as the hydrogen fumarate in hay fever, rhinitis, allergic skin conditions, and pruritus. It causes drowsiness.. clemastine : 2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions.		2.0710monochlorobenzenes;
N-alkylpyrrolidine		anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
danazol
Danazol: A synthetic steroid with antigonadotropic and anti-estrogenic activities that acts as an anterior pituitary suppressant by inhibiting the pituitary output of gonadotropins. It possesses some androgenic properties. Danazol has been used in the treatment of endometriosis and some benign breast disorders.		2.753017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
9-hydroxybenzo(a)pyrene
9-hydroxybenzo(a)pyrene: RN given refers to unlabeled parent cpd		3.110ortho- and peri-fused polycyclic arene
daunorubicin
Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola.		3.110aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
disopyramide phosphate
[no description available]		2.4620organoammonium phosphate
carbimazole
Carbimazole: An imidazole antithyroid agent. Carbimazole is metabolized to METHIMAZOLE, which is responsible for the antithyroid activity.. carbimazole : A member of the class of imidazoles that is methimazole in which the nitrogen bearing a hydrogen is converted into its ethoxycarbonyl derivative. A prodrug for methimazol, carbimazole is used for the treatment of hyperthyroidism.		2.07101,3-dihydroimidazole-2-thiones;
carbamate ester		antithyroid drug;
prodrug
n-phenylethanolamine
[no description available]		3.110aralkylamine
4-ethylphenol
4-ethylphenol: RN given refers to parent cpd. 4-ethylphenol : A member of the class of phenols carrying an ethyl substituent at position 4.		3.5120phenolsfungal xenobiotic metabolite
triamcinolone
Triamcinolone: A glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739). triamcinolone : A C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections.		2.071011beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
ursodeoxycholic acid
Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.. ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.. ursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.		3.8230bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
pregnanolone
Pregnanolone: A pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties.. 3alpha-hydroxy-5beta-pregnan-20-one : The 3alpha-stereoisomer of 3-hydroxy-5beta-pregnan-20-one.		3.1103-hydroxy-5beta-pregnan-20-one;
3alpha-hydroxy steroid		human metabolite;
intravenous anaesthetic;
sedative
2,6-di-tert-butylphenol
2,6-di-tert-butylphenol: RN given refers to parent cpd. 2,6-di-tert-butylphenol : A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 6.		2.6930alkylbenzene;
phenols		antioxidant
rose bengal b disodium salt
[no description available]		3.4110
oxypeucadanin, (s)-(-)-isomer
[no description available]		2.1510epoxide;
furanocoumarin;
lactone		plant metabolite
amoxicillin
Amoxicillin: A broad-spectrum semisynthetic antibiotic similar to AMPICILLIN except that its resistance to gastric acid permits higher serum levels with oral administration.. amoxicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.		2.9840penicillin allergen;
penicillin		antibacterial drug
moricizine hydrochloride
moricizine hydrochloride : A hydrochloride salt obtained from equimola amounts of moricizine and hydrogen chloride.		2.4620hydrochlorideanti-arrhythmia drug
zidovudine
Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.		4.2550azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
7-ethoxycoumarin
7-ethoxycoumarin : A member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group.		1.9610aromatic ether;
coumarins
pirprofen
pirprofen: anti-inflammatory agent used in therapy of rheumatoid arthritis; prostaglandin synthetase inhibitor; more potent than indomethacin; structure		2.7530pyrroline
serentil
mesoridazine besylate : The benzenesulfonate salt of mesoridazine prepared using equimolar amounts of mesoridazine and benzenesulfonic acid.		2.4620organosulfonate saltdopaminergic antagonist;
first generation antipsychotic
tobramycin
Tobramycin: An aminoglycoside, broad-spectrum antibiotic produced by Streptomyces tenebrarius. It is effective against gram-negative bacteria, especially the PSEUDOMONAS species. It is a 10% component of the antibiotic complex, NEBRAMYCIN, produced by the same species.. tobramycin : A amino cyclitol glycoside that is kanamycin B lacking the 3-hydroxy substituent from the 2,6-diaminoglucose ring.		2.4620amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
paclitaxel
Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).		2.9940taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposide
[no description available]		2.7530beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
6-hydroxybenzo(a)pyrene
6-hydroxybenzo(a)pyrene: RN given refers to parent cpd; structure in first source		3.110ortho- and peri-fused polycyclic arene
propafenone hydrochloride
propafenone hydrochloride : A hydrochloride that is the monohydrochloride salt of propafenone. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used in the management of supraventricular and ventricular arrhythmias.		2.4620hydrochlorideanti-arrhythmia drug
ribavirin
Rebetron: Rebetron is tradename		2.46201-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
carbidopa
[no description available]		2.4620catechols;
hydrate;
hydrazines;
monocarboxylic acid		antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
cephradine
Cephradine: A semi-synthetic cephalosporin antibiotic.. cephradine : A first-generation cephalosporin antibiotic with a methyl substituent at position 3, and a (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamido substituent at position 7, of the cephem skeleton.		2.4620beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
ticrynafen
Ticrynafen: A novel diuretic with uricosuric action. It has been proposed as an antihypertensive agent.. tienilic acid : An aromatic ketone that is 2,3-dichlorophenoxyacetic acid in which the hydrogen at position 4 on the benzene ring is replaced by a thiophenecarbonyl group. A loop diuretic used to treat hypertension, it was withdrawn from the market in 1982 due to links with hepatitis.		2.7530aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic
methyldopa
Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent.. alpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring.		2.7530L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
bezafibrate
[no description available]		2.4620aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
sq-11725
Nadolol: A non-selective beta-adrenergic antagonist with a long half-life, used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension. Nadolol is also used for MIGRAINE DISORDERS and for tremor.. nadolol : Nadolol is a diastereoisomeric mixture consisting of equimolar amounts of the four possible 2,3-cis-isomers of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol.		2.4620
diltiazem
Diltiazem: A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions.. diltiazem : A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension.		2.71305-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
nonachlazine
Nonachlazine: Coronary vasodilator with a novel mechanism of action; proposed as antianginal agent.		2.0510
dexibuprofen
dexibuprofen: structure in first source		3.110ibuprofennon-narcotic analgesic;
non-steroidal anti-inflammatory drug
benoxaprofen
benoxaprofen: RN given refers to parent cpd; structure. benoxaprofen : A monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group. It was used as a non-steroidal anti-inflammatory drug until 1982 when it was withdrawn from the market due to adverse side-effects including liver necrosis, photosensitivity, and carcinogenicity in animals.		3.82301,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes		antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
permethrin
hemoglobin Atlanta-Coventry: Leu replaced by Pro at beta75 and Leu deleted at beta141		2.4620cyclopropanecarboxylate ester;
cyclopropanes		agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
[no description available]		5.75150chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
flecainide acetate
flecainide acetate : An acetate salt obtained by combining flecainide with one molar equivalent of acetic acid. An antiarrhythmic agent used to prevent and treat tachyarrhythmia (abnormal fast rhythm of the heart).		2.4620acetate saltanti-arrhythmia drug
nicardipine hydrochloride
[no description available]		2.4620dihydropyridinegeroprotector
torsemide
Torsemide: A pyridine and sulfonamide derivative that acts as a sodium-potassium chloride symporter inhibitor (loop diuretic). It is used for the treatment of EDEMA associated with CONGESTIVE HEART FAILURE; CHRONIC RENAL INSUFFICIENCY; and LIVER DISEASES. It is also used for the management of HYPERTENSION.. torasemide : An N-sulfonylurea obtained by formal condensation of [(3-methylphenyl)amino]pyridine-3-sulfonic acid with the free amino group of N-isopropylurea. It is a potent loop diuretic used for the treatment of hypertension and edema in patients with congestive heart failure.		2.0710aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic
epirubicin
Epirubicin: An anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA.		2.4620aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
2-hydroxybenzo(a)pyrene
2-hydroxybenzo(a)pyrene: RN given refers to parent cpd; structure in first source		3.110ortho- and peri-fused polycyclic arene
indacrinone
indacrinone: polyvalent saluretic; RN given refers to parent cpd without isomeric designation; structure		2.4620
paroxetine
Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression.. paroxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo.		2.7530aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
captopril
Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.. captopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.		2.4620alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone
Cefoperazone: Semisynthetic broad-spectrum cephalosporin with a tetrazolyl moiety that is resistant to beta-lactamase. It may be used to treat Pseudomonas infections.. cefoperazone : A semi-synthetic parenteral cephalosporin with a tetrazolyl moiety that confers beta-lactamase resistance.		2.0710cephalosporinantibacterial drug
butoconazole nitrate
butoconazole nitrate : An organic nitrate salt obtained by reaction of equimolar amounts of butaconazole and nitric acid. An antifungal agent, it is used in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans.		2.4620aryl sulfide;
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
organic nitrate salt
bw-755c
4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine: A dual inhibitor of both cyclooxygenase and lipoxygenase pathways. It exerts an anti-inflammatory effect by inhibiting the formation of prostaglandins and leukotrienes. The drug also enhances pulmonary hypoxic vasoconstriction and has a protective effect after myocardial ischemia.		1.9710
cefadroxil anhydrous
Cefadroxil: Long-acting, broad-spectrum, water-soluble, CEPHALEXIN derivative.. cefadroxil : A cephalosporin bearing methyl and (2R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.		2.4620cephalosporinantibacterial drug
fialuridine
[no description available]		2.4620
mitoxantrone hydrochloride
[no description available]		2.4620hydrochlorideantineoplastic agent
cefotetan
Cefotetan: A semisynthetic cephamycin antibiotic that is administered intravenously or intramuscularly. The drug is highly resistant to a broad spectrum of beta-lactamases and is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative microorganisms.. cefotetan : A semi-synthetic second-generation cephamycin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino groups at the 3, 7alpha, and 7beta positions, respectively, of the cephem skeleton. It is resistant to a wide range of beta-lactamases and is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms.		2.4620
lovastatin
Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.. lovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).		2.4720delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
tolrestat
tolrestat: RN & structure given in first source		2.0510naphthalenesEC 1.1.1.21 (aldehyde reductase) inhibitor
simvastatin
Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL.. simvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.		2.7630delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
remoxipride
Remoxipride: An antipsychotic agent that is specific for dopamine D2 receptors. It has been shown to be effective in the treatment of schizophrenia.		2.0710dimethoxybenzene
pravastatin
Pravastatin: An antilipemic fungal metabolite isolated from cultures of Nocardia autotrophica. It acts as a competitive inhibitor of HMG CoA reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES).. pravastatin : A carboxylic ester resulting from the formal condensation of (S)-2-methylbutyric acid with the hydroxy group adjacent to the ring junction of (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Derived from microbial transformation of mevastatin, pravastatin is a reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA). The sodium salt is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin.		2.07103-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
bambuterol
bambuterol: selective inhibitor of butyrylcholinesterase & acetylcholinesterase. bambuterol : A carbamate ester that is terbutaline in which both of the phenolic hydroxy groups have been protected as the corresponding N,N-dimethylcarbamates. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline.		2.4620carbamate ester;
phenylethanolamines		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent
atomoxetine
atomoxetine : A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents.		2.4620aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
quinapril
Quinapril: A tetrahydroisoquinoline derivative and ANGIOTENSIN CONVERTING ENZYME inhibitor that is used in the treatment of HYPERTENSION and HEART FAILURE.. quinapril : A member of the class of isoquinolines that is (3S)-2-L-alanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid in which the alpha-amino group of the alanyl residue has been substituted by a 1-ethoxycarbonyl-4-phenylbutan-2-yl group (the all-S isomer). A prodrug for quinaprilat (by hydrolysis of the ethyl ester to the corresponding carboxylic acid), it is used as an angiotensin-converting enzyme inhibitor (ACE inhibitor) used (generally as the hydrochloride salt) for the treatment of hypertension and congestive heart failure.		2.4620dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
alpidem
[no description available]		2.7530imidazoles
finasteride
Finasteride: An orally active 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE inhibitor. It is used as a surgical alternative for treatment of benign PROSTATIC HYPERPLASIA.. finasteride : An aza-steroid that is a synthetic drug for the treatment of benign prostatic hyperplasia.		2.07103-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
opc 14117
OPC 14117: has both brain function activating effect & protective effect against cerebral ischemia; structure given in first source		1.9710
temafloxacin
temafloxacin: structure given in first source. temafloxacin : A racemate comprising equimolar amounts of (R)- and (S)-temafloxacin. Both enantiomers both exhibit similar pharmacological profiles. Temafloxacin was briefly used (either as the free base or as the hydrochloride salt) as an antibacterial drug but was withdrawn worldwide in 1992 following reports of serious side effects, including severe hypoglycaemia, haemolytic anaemia, liver and kidney dysfunction, anaphylaxis, and death.. 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid : A quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, and 7 by 2,4-difluorophenyl, fluorine, and 3-methylpiperazin-1-yl groups, respectively.		2.4620amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound
clinafloxacin
clinafloxacin: structure given in first source; RN given is for monoHCl		2.4620quinolines
zileuton
[no description available]		2.75301-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
mibefradil
Mibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE.		2.4620tetralinsT-type calcium channel blocker
bromfenac
bromfenac: bromfenac sodium is the active cpd; structure in first source. bromfenac : Amfenac in which the the hydrogen at the 4 position of the benzoyl group is substituted by bromine. It is used for the management of ocular pain and treatment of postoperative inflammation in patients who have undergone cataract extraction. It was withdrawn from the US market in 1998, following concerns over off-label abuse and hepatic failure.		2.7530aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
atorvastatin
[no description available]		2.0710aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic
lamivudine
[no description available]		2.4620monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
valsartan
Valsartan: A tetrazole derivative and ANGIOTENSIN II TYPE 1 RECEPTOR BLOCKER that is used to treat HYPERTENSION.. valsartan : A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity.		2.7530biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
tasosartan
tasosartan: angiotensin II antagonist; structure given in first source		2.4620biphenyls
saquinavir monomethanesulfonate
[no description available]		2.4620organic molecular entity
adenosine
quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit		2.4620adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
octyl gallate
[no description available]		3.5520gallate esterfood antioxidant;
hypoglycemic agent;
plant metabolite
allyl formate
[no description available]		2.4620
acridine orange
Acridine Orange: A cationic cytochemical stain specific for cell nuclei, especially DNA. It is used as a supravital stain and in fluorescence cytochemistry. It may cause mutations in microorganisms.. acridine orange : Fluorescent dye useful for cell cycle determination. It is cell-permeable, and interacts with DNA and RNA by intercalation or electrostatic attractions respectively.. acridine orange free base : A member of the class of aminoacridines that is acridine carrying two dimethylamino substituents at positions 3 and 6. The hydrochloride salt is the fluorescent dye 'acridine orange', used for cell cycle determination.		2.420aminoacridines;
aromatic amine;
tertiary amino compound		fluorochrome;
histological dye
desferrioxamine b mesylate
desferrioxamine B mesylate : A methanesulfonate salt obtained by reaction of desferrioxamine B with one molar equivalent of methanesulfonic acid. It is an iron-chelating medicine used to remove excess iron from the body. It binds to iron in the blood, which is then passed out in the urine.		2.4620methanesulfonate saltantidote;
ferroptosis inhibitor;
iron chelator
bupropion hydrochloride
[no description available]		2.4620aromatic ketone
diltiazem hydrochloride
Carex: fluoride (1.8%) containing varnish; no further information available 8/91. diltiazem hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of diltiazem and hydrogen chloride. A calcium-channel blocker and vasodilator, it is used in the management of angina pectoris and hypertension.		2.0510hydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent
trazodone hydrochloride
Triticum: A plant genus of the family POACEAE that is the source of EDIBLE GRAIN. A hybrid with rye (SECALE CEREALE) is called TRITICALE. The seed is ground into FLOUR and used to make BREAD, and is the source of WHEAT GERM AGGLUTININS.. trazodone hydrochloride : A hydrochloride salt prepared from equimolar amounts of trazodone and hydrogen chloride.		2.4620hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
trovafloxacin
trovafloxacin: a trifluoronaphthyridone derivative of 7-(3-azabicyclo(3.1.0)hexyl)naphthyridone; has antineoplastic activity. trovafloxacin : A 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and 6-amino-3-azabicyclo[3.1.0]hex-3-yl substituents at positions 1, 6 and 7 respectively. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure.		2.4620
verapamil hydrochloride
verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride.		2.4620
ciprofloxacin hydrochloride anhydrous
[no description available]		2.4620hydrochlorideantibacterial drug;
antiinfective agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
[no description available]		3.110stilbenoid
amantadine hydrochloride
[no description available]		2.4620hydrochlorideantiviral agent;
dopamine agonist;
NMDA receptor antagonist
2',7'-dichlorofluorescein
2',7'-dichlorofluorescein: RN given refers to parent cpd		3.1102-benzofuransfluorochrome
ursolic acid
[no description available]		2.0510hydroxy monocarboxylic acid;
pentacyclic triterpenoid		geroprotector;
plant metabolite
4-hydroxybenzamide
[no description available]		2.0210
dobutamine hydrochloride
dobutamine hydrochloride : The hydrochloride salt of dobutamine. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used to increase the contractility of the heart in the management of acute heart failure.		2.4620hydrochloridebeta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
iopamidol
Iopamidol: A non-ionic, water-soluble contrast agent which is used in myelography, arthrography, nephroangiography, arteriography, and other radiological procedures.. iopamidol : A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a (2S)-2-hydroxypropanamido group at the 5-position.		2.4620benzenedicarboxamide;
organoiodine compound;
pentol		environmental contaminant;
radioopaque medium;
xenobiotic
sulconazole, mononitrate, (+-)-isomer
[no description available]		2.4620conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
16-hydroxytestosterone
16-hydroxytestosterone: RN given refers to (16alpha,17beta)-isomer. 16alpha-hydroxytestosterone : A C19-steroid that is testosterone in which the hydrogen at the 16alpha position has been replaced by a hydroxy group.		3.11016alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid;
C19-steroid;
diol;
secondary alcohol		androgen
telmisartan
Telmisartan: A biphenyl compound and benzimidazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION.. telmisartan : A member of the class of benzimidazoles used widely in the treatment of hypertension.		2.4620benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
bergenin
bergenin: RN refers to (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-isomer; structure		2.0810trihydroxybenzoic acidmetabolite
2-methoxyestradiol
2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2.		3.11017beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
guaethol
[no description available]		2.0210aromatic ether;
phenols;
volatile organic compound		flavouring agent
isoimperatorin
isoimperatorin: tumor necrosis factor antagonist isolated from Glehniae root. isoimperatorin : A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor.		2.1510psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
5-hydroxyflavone
[no description available]		210flavones
5,6,7,8-tetrahydro-1-naphthol
5,6,7,8-tetrahydro-1-naphthol : 1-naphthol hydrogenated at C-5, -6, -7 and -8.		3.110tetralins
trimethobenzamide monohydrochloride
[no description available]		2.4620
amiloride hydrochloride
amiloride hydrochloride dihydrate : A hydrate that is the dihydrate of amiloride hydrochloride.		2.4620hydratediuretic;
sodium channel blocker
alfatradiol
alfatradiol: used for treating androgenetic alopecia. 17alpha-estradiol : An estradiol that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17 (the 17alpha stereoisomer).		3.11017alpha-hydroxy steroid;
3-hydroxy steroid;
estradiol		estrogen;
geroprotector
econazole nitrate
econazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-econazole nitrate. Used to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections.		2.4620
sertraline
Sertraline: A selective serotonin uptake inhibitor that is used in the treatment of depression.. sertraline : A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder.		2.7530dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
lomefloxacin hydrochloride
lomefloxacin hydrochloride : The hydrochloride salt of lomefloxacin. It is administered by mouth to treat bacterial infections including bronchitis and urinary tract infections. It is also used topically as eye drops for the treatment of bacterial conjunctivitis, and as ear drops for the treatment of otitis externa and otitis media.		2.4620hydrochlorideantimicrobial agent;
antitubercular agent;
photosensitizing agent
flunoxaprofen
flunoxaprofen: structure given in first source. flunoxaprofen : A monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group (the S-enantiomer). Although it was shown to be effective in treatment of rheumatoid arthritis and osteoarthritis, the clinical use of flunoxaprofen was discontinued due to possible hepatotoxic side-effects.		2.46201,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound		antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
tianeptine
tianeptine: structure given in first source. tianeptine : A racemate comprising of equimolar amounts of (R)- and (S)-tianeptine. It is an atypical antidepressant used in Europe to treat patients who respond poorly to selective serotonin reuptake inhibitors (SSRIs).. 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid : A member of the class of dibenzothiazepines that is 3-chloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide substituted by a (6-carboxyhexyl)amino group at position 11.. (S)-tianeptine : The S-enantiomer of tianeptine.		2.4620dibenzothiazepine;
monocarboxylic acid;
organochlorine compound
4-hydroxyquinoline
4-quinolone : A quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4.		3.110monohydroxyquinoline;
quinolone
2,6-di-tert-butyl-4-nitrophenol
2,6-di-tert-butyl-4-nitrophenol: has been reported as a potential contaminant in submarines		2.0210
indole-3-carboxylic acid
indole-3-carboxylic acid : An indole-3-carboxylic acid carrying a carboxy group at position 3.		210indol-3-yl carboxylic acidbacterial metabolite;
human metabolite
uk 68798
[no description available]		2.0710aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker
loperamide hydrochloride
loperamide hydrochloride : A hydrochloride obtained by combining loperamide with one equivalent of hydrochloric acid. Used for treatment of diarrhoea resulting from gastroenteritis or inflammatory bowel disease.		2.7830hydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
epicatechin
(-)-epicatechin : A catechin with (2R,3R)-configuration.		2.4820catechin;
polyphenol		antioxidant
grepafloxacin
grepafloxacin: structure in first source		2.4620fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
(-)-catechin
(-)-catechin : The (-)-enantiomer of catechin.		2.0510catechinmetabolite
3,5-di-tert-butyl-4-hydroxybenzaldehyde
3,5-di-tert-butyl-4-hydroxybenzaldehyde: structure in first source		2.0210hydroxybenzaldehyde
2-naphthylisothiocyanate
[no description available]		2.4620
4'-methoxyflavone
4'-methoxyflavone: from seeds of Psoralea corylifolia (Fabaceae); structure in first source		2.0510ether;
flavonoids
rosiglitazone
[no description available]		2.7530aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
5-hydroxymethyl-2-furoic acid
5-hydroxymethyl-2-furoic acid: structure in first source. 5-hydroxymethyl-2-furoic acid : A member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a hydroxymethyl group.		2.0110aromatic primary alcohol;
furoic acid		bacterial xenobiotic metabolite;
fungal metabolite;
human urinary metabolite;
nematicide
flunisolide
flunisolide: flunisolide HFA is a formulation of flunisolide using hydrofluoroalkane (HFA) as propellant in place of chlorofluorocarbon (CFC) ones		2.071011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent
3,4-dihydroxyphenylethanol
3,4-dihydroxyphenylethanol: serotonin metabolite; structure		2.0410catechols;
primary alcohol		antineoplastic agent;
antioxidant;
metabolite
chloroquine diphosphate
[no description available]		2.4620
orphenadrine citrate
orphenadrine citrate : A citrate salt which comprises equimolar amounts of orphenadrine and citric acid.		2.4620citrate saltH1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
ketorolac tromethamine
Ketorolac Tromethamine: A pyrrolizine carboxylic acid derivative structurally related to INDOMETHACIN. It is a non-steroidal anti-inflammatory agent used for analgesia for postoperative pain and inhibits cyclooxygenase activity.. ketorolac tromethamine : An organoammonium salt resulting from the mixture of equimolar amounts of ketorolac and tromethamine (tris). It has potent non-sedating analgesic and moderate anti-inflammatory effects. It is used in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis.		2.4620organoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor
clarithromycin
Clarithromycin: A semisynthetic macrolide antibiotic derived from ERYTHROMYCIN that is active against a variety of microorganisms. It can inhibit PROTEIN SYNTHESIS in BACTERIA by reversibly binding to the 50S ribosomal subunits. This inhibits the translocation of aminoacyl transfer-RNA and prevents peptide chain elongation.. clarithromycin : The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis.		2.7530macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
3-bromo-4,5-dihydroxybenzaldehyde
3-bromo-4,5-dihydroxybenzaldehyde: a natural antioxidant from red algae (e.g., Rhodomela confervoides, Polysiphonia morrowii, and Polysiphonia urceolata)		2.0410
n-(3,5-dichlorophenyl)succinimide
N-(3,5-dichlorophenyl)succinimide: nephrotoxic; post-treatment enhanced induction of renal cell tumors in rats by dimethylnitrosamine, pre-treatment inhibited induction of tumors, & alone caused interstitial nephritis but no tumors		2.4620pyrrolidines
phentolamine mesylate
[no description available]		2.4620
17-alpha-hydroxypregnenolone
17-alpha-Hydroxypregnenolone: A 21-carbon steroid that is converted from PREGNENOLONE by STEROID 17-ALPHA-HYDROXYLASE. It is an intermediate in the delta-5 pathway of biosynthesis of GONADAL STEROID HORMONES and the adrenal CORTICOSTEROIDS.. 17alpha-hydroxypregnenolone : A hydroxypregnenolone carrying an alpha-hydroxy group at position 17.		3.11017alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid;
hydroxypregnenolone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
oxybutynin hydrochloride
[no description available]		2.4620hydrochloride
inermin
inermin: phytoalexin produced in plants after injection with fungi; RN given refers to (cis-(+-))-isomer; RN for cpd without isomeric designation; structure. (-)-maackiain : The (-)-enantiomer of maackiain.		2.1110maackiain
1-cyano-2-hydroxy-3-butene
[no description available]		2.0510secondary alcohol
5-(3-hydroxyphenyl)-5-phenylhydantoin
5-(3-hydroxyphenyl)-5-phenylhydantoin: metabolite of phenytoin; RN given refers to cpd without isomeric designation		3.110
cordium
bepridil hydrochloride monohydrate : The hydrochloride monohydrate of bepridril.		2.4620hydrate;
hydrochloride
7-amino-4-methylcoumarin
7-amino-4-methylcoumarin: RN given refers to parent cpd		3.1107-aminocoumarinsfluorochrome
11-hydroxyprogesterone, (11alpha)-isomer
11alpha-hydroxyprogesterone : A 11alpha-hydroxy steroid that is pregn-4-ene-3,20-dione substituted by a hydroxy group at position 11.		3.11011alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid
brexanolone
brexanolone: a mixture of allopregnanolone and sulfobutylether‐beta‐cyclodextrin for treatment of postpartum depression. brexanolone : A 3-hydroxy-5alpha-pregnan-20-one in which the hydroxy group at position 3 has alpha-configuration. It is a metabolite of the sex hormone progesterone and used for the treatment of postpartum depression in women.		3.1103-hydroxy-5alpha-pregnan-20-oneantidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative
3,5-diiodothyronine, (l)-isomer
[no description available]		3.110phenylalanine derivative
harmol hydrochloride
[no description available]		3.110
diosgenin
[no description available]		3.1103beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal		antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite
2,2,5,7,8-pentamethyl-1-hydroxychroman
2,2,5,7,8-pentamethyl-1-hydroxychroman: a Vitamin E derivative. chromanol : Any member of the class of chromanes that is chromane substituted by one or more hydroxy groups.		2.6930
sarsasapogenin, (3beta,5alpha,25r)-isomer
tigogenin : A widely used steroidal sapogenin isolated from several plant species and used for synthesizing steroid drugs.		3.110sapogeningout suppressant;
plant metabolite
m3omg
M3OMG: has antidepressant activity		2.0710
3 alpha,17 alpha-dihydroxy-5 beta-pregnan-20-one
3alpha,17alpha-dihydroxy-5beta-pregnan-20-one : A 17alpha-hydroxy steroid that is 3alpha-hydroxy-5beta-pregnan-20-one carrying an additional hydroxy group at position 17alpha.		3.11017alpha-hydroxy steroid;
20-oxo steroid;
3alpha-hydroxy steroid;
C21-steroid;
corticosteroid hormone		human urinary metabolite
2-methoxyestriol
[no description available]		3.110
bosentan anhydrous
Bosentan: A sulfonamide and pyrimidine derivative that acts as a dual endothelin receptor antagonist used to manage PULMONARY HYPERTENSION and SYSTEMIC SCLEROSIS.		2.4620primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
p-tert-butylphenolformaldehyde resin
p-tert-butylphenolformaldehyde resin: irritant; used in glues; RN given refers to parent cpd; PTBP plastic is the macromolecular form of the resin		1.9910
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine: directly acting genotoxic metabolite of 2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine. N-hydroxy-PhIP : An imidazopyridine that is 1H--imidazo[4,5-b]pyridine which is substituted at positions 1, 2, and 6 by methyl, hydoxyamino, and phenyl groups, respectively. The active metabolite of the dietary carcinogen PhIP.		3.110hydroxylamine;
imidazopyridine		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
mouse metabolite;
mutagen;
neurotoxin;
rat metabolite
epicatechin gallate
epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea. (-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida.		2.0510catechin;
gallate ester;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
ecopipam
ecopipam: structure given in first source		3.110benzazepine
r 56865
R 56865: prevents electrical & mechanical signs of ouabain intoxication in guinea pig papillary muscle		1.9910
ibuprofen, (r)-isomer
[no description available]		3.110ibuprofen
11-hydroxytestosterone
11-hydroxytestosterone: RN given refers to (11 beta,17 beta)-isomer. 11beta-hydroxytestosterone : An androstanoid that is testosterone carrying an additional hydroxy substituent at the 11beta-position.		3.11011beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid;
C19-steroid		bacterial xenobiotic metabolite;
human xenobiotic metabolite;
marine metabolite
norbuprenorphine
norbuprenorphine: metabolite of buprenorphine found in urine & feces; RN given refers to (5alpha,7alpha)-isomer; structure given in first source		3.110phenanthrenes
benzo(a)pyrene-3,6-quinol
[no description available]		3.110
maculosin
maculosin: RN refers to (3S-trans)-isomer; isolated from Alternaria alternata; structure given in first source. maculosin : A homodetic cyclic peptide that is a dipeptide composed of L-proline and L-tyrosine joined by peptide linkages.		2.0510dipeptide;
homodetic cyclic peptide;
phenols;
pyrrolopyrazine		metabolite
saccharolactone
saccharolactone: used as index for assessing induction of hepatic enzymes by anticonvulsants; RN given refers to cpd without isomeric designation. D-glucaro-1,4-lactone : A delta-lactone that is D-glucono-1,4-lactone in which the hydroxy group at position 6 has been oxidised to the corresponding carboxylic acid.		3.3110aldarolactone;
delta-lactone
gefitinib
[no description available]		2.0510aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
methotrexate
[no description available]		2.7530dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
dilevalol
(R,R)-labetalol : A 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1R,2R-configuration.		2.05102-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
nsc-141549
[no description available]		2.4620
levofloxacin
Levofloxacin: The L-isomer of Ofloxacin.. levofloxacin : An optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase.		2.75309-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
cox 189
lumiracoxib: a COX-2 inhibitor. lumiracoxib : An amino acid that is phenylacetic acid which is substituted at position 2 by the nitrogen of 2-chloro-6-fluoroaniline and at position 5 by a methyl group. A highly selective cyclooxygenase 2 inhibitor, it was briefly used for the treatment of osteoarthritis, but was withdrawn due to concersns of hepatotoxicity.		2.0510amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
hyoscyamine
Hyoscyamine: The 3(S)-endo isomer of atropine.. (S)-atropine : An atropine with a 2S-configuration.		2.0710tropane alkaloid
naproxen
Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.		4.5370methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
olmesartan
olmesartan: an active metabolite of CS 866		2.4720biphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent
camphora
camphora: a component of Guanxingao, a kind of traditional Chinese rubber electuary medicine which is able to either cure or guard against coronary heart disease and angina pectoris. (R)-camphor : The (R)- enantiomer of camphor.		2.0510camphor
apovincaminic acid
apovincaminic acid: structure in first source		2.0410
cortolone
[no description available]		3.11021-hydroxy steroid
biotin
vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms.		2.7830biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite
dendrophenol
dendrophenol: isolated from Dendrobium loddigesii		2.0310
aflatoxin b1
Aflatoxin B1: A potent hepatotoxic and hepatocarcinogenic mycotoxin produced by the Aspergillus flavus group of fungi. It is also mutagenic, teratogenic, and causes immunosuppression in animals. It is found as a contaminant in peanuts, cottonseed meal, corn, and other grains. The mycotoxin requires epoxidation to aflatoxin B1 2,3-oxide for activation. Microsomal monooxygenases biotransform the toxin to the less toxic metabolites aflatoxin M1 and Q1.. aflatoxin B1 : An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.		2.4620aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite
carbocysteine
Carbocysteine: A compound formed when iodoacetic acid reacts with sulfhydryl groups in proteins. It has been used as an anti-infective nasal spray with mucolytic and expectorant action.. S-carboxymethyl-L-cysteine : An L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a carboxymethyl group.		3.110L-cysteine thioether;
non-proteinogenic L-alpha-amino acid		mucolytic
(-)-gallocatechin gallate
(-)-gallocatechin gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea.		2.0510catechin;
gallate ester;
polyphenol		antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite
troleandomycin
Troleandomycin: A macrolide antibiotic that is similar to ERYTHROMYCIN.. troleandomycin : A semi-synthetic macrolide antibiotic obtained by acetylation of the three free hydroxy groups of oleandomycin. Troleandomycin is only found in individuals that have taken the drug.		2.7530acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
lapatinib
[no description available]		2.0510furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
cholic acid
Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion.. cholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.		3.11012alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
fludrocortisone acetate
fludrocortisone acetate : An acetate ester resulting from the formal condensation of the primary hydroxy group of fludrocortisone with acetic acid. A synthetic corticosteroid, it has glucocorticoid actions about 10 times as potent as hydrocortisone, while its mineralocorticoid actions are over 100 times as potent. It is used in partial replacement therapy for primary and secondary adrenocortical insufficiency in Addison's disease and for the treatment of salt-losing adrenal hyperplasia.		2.462011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
fluorinated steroid;
mineralocorticoid;
tertiary alpha-hydroxy ketone
5 alpha-androstane-3 beta,17 beta-diol
5alpha-androstane-3beta,17beta-diol : An androstane-3,17-diol that is 5alpha-androstane substituted by beta-hydroxy groups at positions 3 and 17. It is a metabolite of dihydrotestosterone.		3.11017beta-hydroxy steroid;
3beta-hydroxy steroid;
androstane-3,17-diol		Daphnia magna metabolite;
human metabolite
cortol
[no description available]		3.11021-hydroxy steroid
21-hydroxypregnenolone
21-hydroxypregnenolone: RN given refers to (3beta)-isomer;. 21-hydroxypregnenolone : A hydroxypregnenolone that is pregnenolone which has been substituted by a hydroxy group at position 21.		3.11021-hydroxy steroid;
hydroxypregnenolone;
primary alpha-hydroxy ketone		mouse metabolite
2-hydroxyestradiol
2-hydroxyestradiol: catechol estrogen; RN given refers to (17 beta)-isomer. 2-hydroxy-17beta-estradiol : A 2-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 2.		3.11017beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug
epietiocholanolone
epietiocholanolone : A 3beta-hydroxy steroid that is 5beta-androstane substituted by a hydroxy group at position 3beta and an oxo group at position 17. It is a metabolite of testosterone.		3.11017-oxo steroid;
3beta-hydroxy steroid;
androstanoid		androgen;
animal metabolite;
human blood serum metabolite;
mouse metabolite;
rat metabolite
vincristine sulfate
[no description available]		2.4620organic sulfate saltantineoplastic agent;
geroprotector
arsenic trioxide
[no description available]		3.4110
acivicin
[no description available]		2.4620isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite
menthofuran
menthofuran: RN given refers to cpd without isomeric designation; derives from cyclization of pulegone. menthofuran : A monoterpenoid that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6.		2.07101-benzofurans;
monoterpenoid		nematicide;
plant metabolite
medicarpin
(-)-medicarpin : The (-)-enantiomer of medicarpin.		2.1110medicarpinplant metabolite
sorbinil
sorbinil: aldose reductase inhibitor. sorbinil : An azaspiro compound having a monofluoro-substituted chromane skeleton spiro-linked to an imidazolidinedione ring.		210azaspiro compound;
chromanes;
imidazolidinone;
organofluorine compound;
oxaspiro compound		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor
ritonavir
Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.. ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.		2.46201,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
glucosamine
D-glucosamine : An amino sugar whose structure comprises D-glucose having an amino substituent at position 2.. 2-amino-2-deoxy-D-glucopyranose : A D-glucosamine whose structure comprises D-glucopyranose having an amino substituent at position 2.		2.4620D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite
naringenin
(S)-naringenin : The (S)-enantiomer of naringenin.		3.110(2S)-flavan-4-one;
naringenin		expectorant;
plant metabolite
salicin
[no description available]		2.0310aromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
puromycin
[no description available]		2.4620puromycinsantiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor
taxifolin
(+)-taxifolin : A taxifolin that has (2R,3R)-configuration.		2.4420taxifolinmetabolite
taurolithocholic acid
Taurolithocholic Acid: A bile salt formed in the liver from lithocholic acid conjugation with taurine, usually as the sodium salt. It solubilizes fats for absorption and is itself absorbed. It is a cholagogue and choleretic.. taurolithocholic acid : The bile acid taurine conjugate of lithocholic acid.		2.0510bile acid taurine conjugate;
monocarboxylic acid amide		human metabolite
cholesteryl glucoside
cholesteryl glucoside: RN given refers to cpd without isomeric designation		2.0510monosaccharide derivative;
sterol 3-beta-D-glucoside
2-hydroxyestrone
2-hydroxyestrone: catechol estrogen which is a major metabolite of estradiol in man & animals; RN given refers to parent cpd. 2-hydroxyestrone : A 2-hydroxy steroid that is estrone substituted by a hydroxy group at position 2.		3.1102-hydroxy steroid;
catechols		human metabolite
(+)-limonene
(4R)-limonene : An optically active form of limonene having (4R)-configuration.		2.4620limoneneplant metabolite
arbutin
hydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage.		2.7430beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite
quinidine
Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission.. quinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy.		2.7530cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
meropenem
Meropenem: A thienamycin derivative antibacterial agent that is more stable to renal dehydropeptidase I than IMIPENEM, but does not need to be given with an enzyme inhibitor such as CILASTATIN. It is used in the treatment of bacterial infections, including infections in immunocompromised patients.. meropenem : A carbapenemcarboxylic acid in which the azetidine and pyrroline rings carry 1-hydroxymethyl and in which the azetidine and pyrroline rings carry 1-hydroxymethyl and 5-(dimethylcarbamoyl)pyrrolidin-3-ylthio substituents respectively.		2.0710alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide		antibacterial agent;
antibacterial drug;
drug allergen
griseofulvin
Griseofulvin: An antifungal agent used in the treatment of TINEA infections.. griseofulvin : An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment.		2.46201-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
cefoxitin
Cefoxitin: A semisynthetic cephamycin antibiotic resistant to beta-lactamase.. cefoxitin : A semisynthetic cephamycin antibiotic which, in addition to the methoxy group at the 7alpha position, has 2-thienylacetamido and carbamoyloxymethyl side-groups. It is resistant to beta-lactamase.		2.4620beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug
moxalactam disodium
[no description available]		2.4620
abacavir
abacavir: a carbocyclic nucleoside with potent selective anti-HIV activity. abacavir : A 2,6-diaminopurine that is (1S)-cyclopent-2-en-1-ylmethanol in which the pro-R hydrogen at the 4-position is substituted by a 2-amino-6-(cyclopropylamino)-9H-purin-9-yl group. A nucleoside analogue reverse transcriptase inhibitor (NRTI) with antiretroviral activity against HIV, it is used (particularly as the sulfate) with other antiretrovirals in combination therapy of HIV infection.		2.46202,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
epiandrosterone
epiandrosterone : A 3beta-hydroxy steroid that is (5alpha)-androstane substituted by a beta-hydroxy group at position 3 and an oxo group at position 17.		3.11017-oxo steroid;
3beta-hydroxy steroid;
androstanoid		androgen;
human metabolite
mometasone furoate
Mometasone Furoate: A pregnadienediol derivative ANTI-ALLERGIC AGENT and ANTI-INFLAMMATORY AGENT that is used in the management of ASTHMA and ALLERGIC RHINITIS. It is also used as a topical treatment for skin disorders.		2.462011beta-hydroxy steroid;
2-furoate ester;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
organochlorine compound;
steroid ester		anti-allergic agent;
anti-inflammatory drug
metyrosine
alpha-methyl-L-tyrosine : An L-tyrosine derivative that consists of L-tyrosine bearing an additional methyl substituent at position 2. An inhibitor of the enzyme tyrosine 3-monooxygenase, and consequently of the synthesis of catecholamines. It is used to control the symptoms of excessive sympathetic stimulation in patients with pheochromocytoma.		2.0710L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
nortriptyline hydrochloride
[no description available]		2.4620organic tricyclic compoundgeroprotector
erythromycin estolate
Erythromycin Estolate: A macrolide antibiotic, produced by Streptomyces erythreus. It is the lauryl sulfate salt of the propionic ester of erythromycin. This erythromycin salt acts primarily as a bacteriostatic agent. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.		2.4620aminoglycoside sulfate salt;
erythromycin derivative		enzyme inhibitor
kanamycin sulfate
[no description available]		2.4620aminoglycoside sulfate saltantibacterial drug;
geroprotector
paromomycin sulfate
paromomycin sulfate : An aminoglycoside sulfate salt resulting from the treatment of paromomycin with sulfuric acid. A broad-spectrum antibiotic, it is used for the treatment of acute and chronic intestinal protozoal infections, but is not effective for extraintestinal protozoal infections. It is also used as a therapeutic against visceral leishmaniasis.		2.4620
agnuside
agnuside: isolated from Vitex peduncularis; structure in first source. agnuside : A benzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with the primary hydroxy group of aucubin. It is an iridoid glycoside found in several Vitex plants including Vitex agnus-castus.		2.0210benzoate ester;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
phenols;
terpene glycoside		anti-inflammatory agent;
cyclooxygenase 2 inhibitor;
plant metabolite;
pro-angiogenic agent
naringin
[no description available]		3.110(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite
Rhododendrin
rhododendrin: isolated from leaves of Rhododendron plants; has anti-inflammatory properties		1.9910glycoside
tremulacin
tremulacin: extracted from Folia Populus tomentosa Carr; structure given in first source		2.0310glycoside
ononin
[no description available]		2.11104'-methoxyisoflavones;
7-hydroxyisoflavones 7-O-beta-D-glucoside;
monosaccharide derivative		plant metabolite
1-alpha-terpineol
(S)-(-)-alpha-terpineol : The (S)-enantiomer of alpha-terpineol.		3.110alpha-terpineolplant metabolite
chloramphenicol palmitate
chloramphenicol palmitate: RN given refers to ((R-(R*,R*))-isomer)		2.4620hexadecanoate ester
diprenorphine
Diprenorphine: A narcotic antagonist similar in action to NALOXONE. It is used to remobilize animals after ETORPHINE neuroleptanalgesia and is considered a specific antagonist to etorphine.		3.110morphinane alkaloid
calcium pantothenate
[no description available]		2.4620polymer
doxorubicin hydrochloride
[no description available]		2.4620anthracycline
vinpocetine
vinpocetine: whole issue of Arzneim Forsch (23 articles) discuss this drug; Arzneim Forsch 26(10a);1976; RN given refers to parent cpd with unspecified isomeric designation		2.0410alkaloidgeroprotector
acarbose
[no description available]		2.4820amino cyclitol;
glycoside
maleic acid
maleic acid: RN given refers to parent cpd(Z)-isomer which is maleic acid; all RR's given refer to (Z)-isomer; (E)-isomer is fumaric acid. maleic acid : A butenedioic acid in which the double bond has cis- (Z)-configuration.		2.4620butenedioic acidalgal metabolite;
mouse metabolite;
plant metabolite
e-z cinnamic acid
cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid		2.0610cinnamic acidplant metabolite
ergosterol
[no description available]		3.1103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols		fungal metabolite;
Saccharomyces cerevisiae metabolite
tretinoin
Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.		4.0540retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
equilenin
Equilenin: An estrogenic steroid produced by HORSES. It has a total of five double bonds in the A- and B-ring. High concentration of equilenin is found in the URINE of pregnant mares.. equilenin : A 3-hydroxy steroid that is estrone which carries two double bonds at positions 6 and 8. It is found in the urine of pregnant mare's and extensively used for estrogen replacement therapy in postmenopausal women.		2.021017-oxo steroid;
3-hydroxy steroid		antioxidant;
mammalian metabolite
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration.		2.7830resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
retinol
Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).		3.110retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
cyanoginosin lr
cyanoginosin LR: cyclic heptapeptide from cyanobacterium Microcystis aeruginosa. microcystin-LR : A microcystin consisting of D-alanyl, L-leucyl, (3S)-3-methyl-D-beta-aspartyl,L-arginyl, 2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. Produced by the cyanobacterium Microcystis aeruginosa, it is the most studied of the microcystins.		2.4620microcystinbacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic
ferulic acid
ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid.		4.5840ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
cerivastatin
cerivastatin: cerivastatin is the ((E)-(+))-isomer; structure given in first source. cerivastatin : (3R,5S)-3,5-dihydroxyhept-6-enoic acid in which the (7E)-hydrogen is substituted by a 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl group. Formerly used (as its sodium salt) to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity.		2.4620dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)
mycophenolic acid
Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.. mycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.. mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.		3.1102-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic
lycopene
[no description available]		2.0510acyclic caroteneantioxidant;
plant metabolite
zithromax
Azithromycin: A semi-synthetic macrolide antibiotic structurally related to ERYTHROMYCIN. It has been used in the treatment of Mycobacterium avium intracellulare infections, toxoplasmosis, and cryptosporidiosis.. azithromycin : A macrolide antibiotic useful for the treatment of bacterial infections.		2.7530macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
drf 2725
ragaglitazar: a phenoxazine analogue of phenyl propanoic acid; Ragaglitazar is a coligand of PPARalpha and PPARgamma		2.4620
diethylstilbestrol
Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups.		3.8230olefinic compound;
polyphenol		antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
dactinomycin
Dactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015)		2.7530actinomycinmutagen
azaserine
Azaserine: Antibiotic substance produced by various Streptomyces species. It is an inhibitor of enzymatic activities that involve glutamine and is used as an antineoplastic and immunosuppressive agent.. azaserine : A carboxylic ester resulting from the formal condensation of the carboxy group of diazoacetic acid with the alcoholic hydroxy group of L-serine. An antibiotic produced by a Streptomyces species.		2.4620carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite
7-methoxyflavone
7-methoxyflavone: an aromatase inhibitor		210ether;
flavonoids
sodium bicarbonate
Sodium Bicarbonate: A white, crystalline powder that is commonly used as a pH buffering agent, an electrolyte replenisher, systemic alkalizer and in topical cleansing solutions.		2.0510one-carbon compound;
organic sodium salt		antacid;
food anticaking agent
arsenic trioxide
Tetraarsenic Oxide: A form of As2O3 that exists as As4O6 in the solid state. It dissociates to As2O3 upon heating to the vapor phase above 800 degrees Celsius.		2.4620arsenic oxideantineoplastic agent;
insecticide
idarubicin hydrochloride
[no description available]		2.4620anthracycline
carbenoxolone sodium
Carbenoxolone: An agent derived from licorice root. It is used for the treatment of digestive tract ulcers, especially in the stomach. Antidiuretic side effects are frequent, but otherwise the drug is low in toxicity.		2.4620triterpenoid
2-hydroxycinnamic acid
trans-2-coumaric acid : The trans-isomer of 2-coumaric acid.. 2-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring.		3.25102-coumaric acid;
phenols		antioxidant;
metabolite
3-coumaric acid
3-coumaric acid: RN given refers to cpd without isomeric designation in Chemline. trans-3-coumaric acid : A 3-coumaric acid that is phenol substituted with trans-2-propenoic acid at position C-3.. 3-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring.		3.25103-coumaric acid
trans-4-coumaric acid
hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents.. trans-4-coumaric acid : The trans-isomer of 4-coumaric acid.. 4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring.		3.87304-coumaric acidfood component;
mouse metabolite;
plant metabolite
geraniol
[no description available]		3.1103,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol		allergen;
fragrance;
plant metabolite;
volatile oil component
sinapinic acid
sinapinic acid: a matrix for matrix-assisted laser desorption technique for protein MW determination; a constituent of propolis. trans-sinapic acid : A sinapic acid in which the double bond has trans-configuration.		3.8630sinapic acidMALDI matrix material;
plant metabolite
stilbenes
Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene.		2.1310stilbene
thyrotropin-releasing hormone
PR 546: no other info available 9/89. protirelin : A tripeptide composed of L-pyroglutamyl, L-histidyl and L-prolinamide residues joined in sequence.		2.3820peptide hormone;
tripeptide		human metabolite
propolin c
propolin C: a PAK1 inhibitor; from Taiwanese propolis; structure in first source. nymphaeol A : A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3' and 4' and a geranyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity.		2.02104'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger
Methylenedioxycinnamic acid
[no description available]		2.0510hydroxycinnamic acid
leuprolide
Leuprolide: A potent synthetic long-acting agonist of GONADOTROPIN-RELEASING HORMONE that regulates the synthesis and release of pituitary gonadotropins, LUTEINIZING HORMONE and FOLLICLE STIMULATING HORMONE.. leuprolide : An oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, D-leucyl, leucyl, arginyl, and N-ethylprolinamide residues joined in sequence. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant (particularly as the acetate salt) for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty.		2.0710oligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist
propylthiouracil
Propylthiouracil: A thiourea antithyroid agent. Propythiouracil inhibits the synthesis of thyroxine and inhibits the peripheral conversion of throxine to tri-iodothyronine. It is used in the treatment of hyperthyroidism. (From Martindale, The Extra Pharmacopeoia, 30th ed, p534). 6-propyl-2-thiouracil : A pyrimidinethione consisting of uracil in which the 2-oxo group is substituted by a thio group and the hydrogen at position 6 is substituted by a propyl group.		2.0710pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
ipratropium
[no description available]		2.0710
dienestrol
Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms.. dienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively.		3.110
etomidate
Etomidate: Imidazole derivative anesthetic and hypnotic with little effect on blood gases, ventilation, or the cardiovascular system. It has been proposed as an induction anesthetic.. etomidate : The ethyl ester of 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid. It is an intravenous general anaesthetic with no analgesic activity.		1.9510ethyl ester;
imidazoles		intravenous anaesthetic;
sedative
mercaptopurine
Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.. purine-6-thiol : A thiol that is the tautomer of mercaptopurine.. mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis.		2.7530aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
3,3',4,5'-tetrahydroxystilbene
3,3',4,5'-tetrahydroxystilbene: demethyl derivative of isorhapontigenin; structure in first source; a Syk kinase inhibitor; found in heartwood of FABACEAE; inhibitor of photosynthesis in spinach chloroplasts; may be inhibitor of plant growth; RN given refers to (E)-isomer. piceatannol : A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5.		2.0110catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
caffeic acid
trans-caffeic acid : The trans-isomer of caffeic acid.		5.2790caffeic acidgeroprotector;
mouse metabolite
captax
captax: RN given refers to parent cpd. 1,3-benzothiazole-2-thiol : 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group.		3.110aryl thiol;
benzothiazoles		carcinogenic agent;
metabolite
4-methoxycinnamic acid
[no description available]		2.0610cinnamic acids
3-(3,4-dimethoxyphenyl)propenoic acid
3-(3,4-dimethoxyphenyl)propenoic acid: structure given in first source; RN given refers to parent cpd. 3,4-dimethoxycinnamic acid : A methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively.		2.0610methoxycinnamic acid
5-phenyl-1,3,4-oxadiazole-2-thiol
5-phenyl-1,3,4-oxadiazole-2-thiol: structure in first source		2.0810
isoferulic acid
isoferulic acid: isomer of ferulic acid; structure. isoferulic acid : A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring.		2.0610ferulic acidsantioxidant;
biomarker;
metabolite
deltoin
deltoin: from Saposhnikovia divaricata (Fang Feng in Chinese); structure in first source		2.0810furanocoumarin
thiothixene
[no description available]		3.8230N-methylpiperazineanticoronaviral agent
curcumin
Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.		2.1710aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger
methimazole
Methimazole: A thioureylene antithyroid agent that inhibits the formation of thyroid hormones by interfering with the incorporation of iodine into tyrosyl residues of thyroglobulin. This is done by interfering with the oxidation of iodide ion and iodotyrosyl groups through inhibition of the peroxidase enzyme.. methimazole : A member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen.		2.46201,3-dihydroimidazole-2-thionesantithyroid drug
sulindac
Sulindac: A sulfinylindene derivative prodrug whose sulfinyl moiety is converted in vivo to an active NSAID analgesic. Specifically, the prodrug is converted by liver enzymes to a sulfide which is excreted in the bile and then reabsorbed from the intestine. This helps to maintain constant blood levels with reduced gastrointestinal side effects.. sulindac : A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions.		2.7530monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
capsaicin
ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.		2.4620capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
isoeugenol
[no description available]		2.0610isoeugenol
umbelliprenin
umbelliprenin: RN given refers to cpd with unspecified isomeric designation		2.1310terpene lactone
chlorogenic acid
caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.		4.5840cinnamate ester;
tannin		food component;
plant metabolite
thioguanine anhydrous
Thioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia.. tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia.		2.46202-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
(1R,2S)-tranylcypromine hydrochloride
(1R,2S)-tranylcypromine hydrochloride : A hydrochloride obtained by combining (1R,2S)-tranylcypromine with one equivalent of hydrochloric acid.		2.4620hydrochloride
safranine t
safranin O : An organic chloride salt having 3,7-diamino-2,8-dimethyl-5-phenylphenazin-5-ium as the counterion. It is commonly used for staining Gram negative bacteria.		3.4110organic chloride saltfluorochrome;
histological dye
thioacetamide
Thioacetamide: A crystalline compound used as a laboratory reagent in place of HYDROGEN SULFIDE. It is a potent hepatocarcinogen.. thioacetamide : A thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur.		2.4620thiocarboxamidehepatotoxic agent
digoxin
Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666). digoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.		2.7530cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
streptozocin
[no description available]		2.4620
tamoxifen
[no description available]		2.7530stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
hmr 3647
[no description available]		2.4620
quinine
[no description available]		2.4620cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
sch 23390
SCH 23390: a selective D1-receptor antagonist. SCH 23390 : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 7 and a hydroxy substituent at position 8.		3.110benzazepine
2-amino-4-nitrophenol
[no description available]		2.02104-nitrophenols
digitoxigenin
Digitoxigenin: 3 beta,14-Dihydroxy-5 beta-card-20(22)enolide. A cardenolide which is the aglycon of digitoxin. Synonyms: Cerberigenin; Echujetin; Evonogenin; Thevetigenin.. digitoxigenin : A 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22).		3.11014beta-hydroxy steroid;
3beta-hydroxy steroid
tolcapone
Tolcapone: A benzophenone and nitrophenol compound that acts as an inhibitor of CATECHOL O-METHYLTRANSFERASE, an enzyme involved in the metabolism of DOPAMINE and LEVODOPA. It is used in the treatment of PARKINSON DISEASE in patients for whom levodopa is ineffective or contraindicated.. tolcapone : Benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase.		2.46202-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
diclofenac sodium
Diclofenac Sodium: The sodium form of DICLOFENAC. It is used for its analgesic and anti-inflammatory properties.. diclofenac sodium : The sodium salt of diclofenac.		2.4520organic sodium salt
quercetin
[no description available]		4.75907-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
bilirubin
[no description available]		3.110biladienes;
dicarboxylic acid		antioxidant;
human metabolite;
mouse metabolite
biochanin a
[no description available]		2.05104'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
formononetin
[no description available]		2.48204'-methoxyisoflavones;
7-hydroxyisoflavones		phytoestrogen;
plant metabolite
acacetin
5,7-dihydroxy-4'-methoxyflavone : A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin.		2.0510dihydroxyflavone;
monomethoxyflavone		anticonvulsant;
plant metabolite
apigenin
Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia.		3.830trihydroxyflavoneantineoplastic agent;
metabolite
luteolin
[no description available]		2.42203'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist
linoleic acid
Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed). linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.		2.0510octadecadienoic acid;
omega-6 fatty acid		algal metabolite;
Daphnia galeata metabolite;
plant metabolite
quercitrin
[no description available]		2.0510alpha-L-rhamnoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		antileishmanial agent;
antioxidant;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
scopoletin
[no description available]		3.5120hydroxycoumarinplant growth regulator;
plant metabolite
vomifoliol
blumenol A: a phytotoxin isolated from Oryza sativa Awaakamai; structure in first source. vomifoliol : A fenchane monoterpenoid that is 3,5,5-trimethylcyclohex-2-en-1-one substituted by a hydroxy and a (1E)-3-hydroxybut-1-en-1-yl group at position 4.. (6S,9R)-vomifoliol : A (6S)-vomifoliol with a R configuration for the hydroxy group at position 9.		2.0210(6S)-vomifoliolmetabolite;
phytotoxin
beta carotene
beta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).. provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues.		2.0510carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
retinol palmitate
retinol palmitate: RN given refers to parent cpd; structure. retinyl palmitate : A palmitate ester of retinol with undefined geometry about the C=C bonds.. all-trans-retinyl palmitate : An all-trans-retinyl ester obtained by formal condensation of the carboxy group of palmitic (hexadecanoic acid) with the hydroxy group of all-trans-retinol. It is used in cosmetic products to treat various skin disorders such as acne, skin aging, wrinkles, dark spots, and also protect against psoriasis.		2.4620all-trans-retinyl ester;
retinyl palmitate		antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite
hymecromone
Hymecromone: A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID.		3.110hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
alprostadil
[no description available]		2.0710prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
vitamin d 2
Ergocalciferols: Derivatives of ERGOSTEROL formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. They differ from CHOLECALCIFEROL in having a double bond between C22 and C23 and a methyl group at C24.. vitamin D2 : A vitamin D supplement and has been isolated from alfalfa.		3.8230hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
cholecalciferol
Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.		3.110D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite
sinapaldehyde
sinapyl aldehyde: structure in first source. (E)-sinapaldehyde : A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5.		2.0210cinnamaldehydes;
dimethoxybenzene;
phenols		antifungal agent;
plant metabolite
rutin
Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.		4.9260disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
genistein
[no description available]		3.59207-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
amphotericin b
Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections.		2.9740antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
clavulanic acid
Clavulanic Acid: A beta-lactam antibiotic produced by the actinobacterium Streptomyces clavuligerus. It is a suicide inhibitor of bacterial beta-lactamase enzymes. Administered alone, it has only weak antibacterial activity against most organisms, but given in combination with other beta-lactam antibiotics it prevents antibiotic inactivation by microbial lactamase.. clavulanate : The conjugate base of clavulanic acid.. clavulanic acid : Antibiotic isolated from Streptomyces clavuligerus. It acts as a suicide inhibitor of bacterial beta-lactamase enzymes.		2.0710oxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort
Budesonide: A glucocorticoid used in the management of ASTHMA, the treatment of various skin disorders, and allergic RHINITIS.. budesonide : A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis.		2.071011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
bronchodilator agent;
drug allergen
eprosartan
eprosartan: angiotensin II receptor antagonist. eprosartan : A member of the class of imidazoles and thiophenes that is an angiotensin II receptor antagonist used for the treatment of high blood pressure.		2.4620dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
montelukast
montelukast: a leukotriene D4 receptor antagonist		2.7530aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
timolol maleate
(S)-timolol maleate : The maleic acid salt of the active (S)-enantiomer of timolol, comprising equimolar amounts of (S)-timolol and maleic acid.		2.4620maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
brompheniramine maleate
brompheniramine maleate : The maleic acid salt of brompheniramine. A histamine H1 receptor antagonist, it is used for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.		2.4620maleate saltanti-allergic agent
chlorpheniramine maleate
[no description available]		2.4620organic molecular entity
clemastine fumarate
clemastine fumarate : The fumaric acid salt of clemastine. An antihistamine with antimuscarinic and moderate sedative properties, it is used for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions.		2.4620fumarate saltanti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
methylergonovine maleate
[no description available]		2.4620ergoline alkaloidgeroprotector
entacapone
entacapone: structure given in first source. entacapone : A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group.		2.46202-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
erucic acid
[no description available]		2.0510docosenoic acid
nervonic acid
(15Z)-tetracosenoic acid : A tetracosenoic acid having a cis-double bond at position 15.		2.0510tetracosenoic acid
butein
[no description available]		2.1310chalcones;
polyphenol		antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor
geranylgeraniol
(E,E,E)-geranylgeraniol : A geranylgeraniol in which all four double bonds have E- (trans-) geometry.		1.9810geranylgeraniol
genistin
genistin: glycoside of soy bean isoflavone, gentistein		2.05107-hydroxyisoflavones 7-O-beta-D-glucoside
esculetin
esculetin: used in filters for absorption of ultraviolet light; structure. esculetin : A hydroxycoumarin that is umbelliferone in which the hydrogen at position 6 is substituted by a hydroxy group. It is used in filters for absorption of ultraviolet light.		3.110hydroxycoumarinantioxidant;
plant metabolite;
ultraviolet filter
7-hydroxycoumarin
7-oxycoumarin: derivatives have anti-oxidant properties. umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7.		3.8230hydroxycoumarinfluorescent probe;
food component;
plant metabolite
baicalein
[no description available]		3.110trihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger
chrysin
chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.		3.53207-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
fisetin
[no description available]		3.1103'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
galangin
5,7-dihydroxyflavonol: antimicrobial from the twigs of Populus nigra x Populus deltoides; structure in first source. galangin : A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells.		3.1107-hydroxyflavonol;
trihydroxyflavone		antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite
euxanthone
euxanthone : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense.		2.1110phenols;
xanthones		metabolite;
plant metabolite
Jacareubin
jacareubin: antibacterial and gastroprotective from the heartwood of Calophyllum brasiliense; structure in first source		2.1110pyranoxanthones
norlichexanthone
norlichexanthone: isolated from fungus P16; structure in first source. norlichexanthone : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus.		2.0110polyphenol;
xanthones		antimalarial;
fungal metabolite
morusin
morusin: from Morus root bark; structure given in first source. morusin : An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8.		1.9910extended flavonoid;
trihydroxyflavone		antineoplastic agent;
plant metabolite
daidzein
[no description available]		2.05107-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
forsythiaside
forsythiaside: RN given refers to (E)-isomer; structure given in first source; from the unripe fruit of Forsythia suspensa (qinglianquiao)		2.0210hydroxycinnamic acid
acteoside
acteoside: a protein kinase C inhibitor with hepatoprotective, anti-asthmatic, and analgesic activities; a phenylethanoid glycoside related to isoacteoside; from leaves of Lippia multiflora (Verbenaceae). acteoside : A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid.		2.0210catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol		anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite
flupenthixol
cis-flupenthixol : A flupenthixol in which the double bond adopts a cis-configuration.		2.0510flupenthixoldopaminergic antagonist
estradiol-17 beta-glucuronide
17beta-estradiol 17-glucosiduronic acid : A steroid glucosiduronic acid that consists of 17beta-estradiol having a beta-glucuronyl residue attached at position 17 via a glycosidic linkage.		2.46203-hydroxy steroid;
steroid glucosiduronic acid
7-hydroxyflavone
7-hydroxyflavone : A hydroxyflavonoid in which the flavone nucleus is substituted at position 7 by a hydroxy group.		210hydroxyflavonoid
4',7-dihydroxyflavone
4',7-dihydroxyflavone: inducer of nod gene. 4',7-dihydroxyflavone : A dihydroxyflavone in which the two hydroxy substituents are located at positions 4' and 7.		2.420dihydroxyflavonemetabolite
4-hydroxyestradiol
4-hydroxyestradiol: catechol estrogen. 4-hydroxy-17beta-estradiol : A 4-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 4.		3.1104-hydroxy steroidmetabolite
isotretinoin
Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects.. isotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.		3.8230retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
cis-flupenthixol dihydrochloride
cis-flupenthixol dihydrochloride : The dihydrochloride salt of cis-flupenthixol.		2.0510hydrochloridegeroprotector
hyodeoxycholic acid
hyodeoxycholic acid: differs from deoxycholic acid in that the 6 alpha-OH is in the 12 position in the former; RN given refers to (3alpha,5beta,6alpha)-isomer. hyodeoxycholic acid : A member of the class of 5beta-cholanic acids that is (5beta)-cholan-24-oic acid substituted by alpha-hydroxy groups at positions 3 and 6.		3.1105beta-cholanic acids;
6alpha,20xi-murideoxycholic acid;
bile acid;
C24-steroid		human metabolite;
mouse metabolite
codeine
[no description available]		3.110morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
cyclosporine
ramihyphin A: one of the metabolites produced by Fusarium sp. S-435; RN given refers to cpd with unknown MF		2.7530homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
phenoxybenzamine hydrochloride
[no description available]		2.4620organic molecular entity
acitretin
Acitretin: An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of ETRETINATE with the advantage of a much shorter half-life when compared with etretinate.. acitretin : A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9.		2.4620acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid		keratolytic drug
cyproterone
Cyproterone: An anti-androgen that, in the form of its acetate (CYPROTERONE ACETATE), also has progestational properties. It is used in the treatment of hypersexuality in males, as a palliative in prostatic carcinoma, and, in combination with estrogen, for the therapy of severe acne and hirsutism in females.		2.071017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
chlorinated steroid;
tertiary alpha-hydroxy ketone		androgen antagonist
hydrocodone
Hydrocodone: Narcotic analgesic related to CODEINE, but more potent and more addicting by weight. It is used also as cough suppressant.. hydrocodone : A morphinane-like compound that is a semi-synthetic opioid synthesized from codeine.		2.0710morphinane-like compound;
organic heteropentacyclic compound		antitussive;
mu-opioid receptor agonist;
opioid analgesic
hydromorphone
Hydromorphone: An opioid analgesic made from MORPHINE and used mainly as an analgesic. It has a shorter duration of action than morphine.. hydromorphone : A morphinane alkaloid that is a hydrogenated ketone derivative of morphine. A semi-synthetic drug, it is a centrally acting pain medication of the opioid class.		3.5320morphinane alkaloid;
organic heteropentacyclic compound		mu-opioid receptor agonist;
opioid analgesic
ly 163892
loracarbef: 1-carbacephem antibiotic; has a broad spectrum of antimicrobial activity; structure given in first source; carbacephems differ from cephalosporins in the substitution of a sulfur atom in the dihydrothiazine ring with a methylene group to form a tetrahydropyridine ring. loracarbef : A synthetic "carba" analogue of cefaclor, with carbon replacing sulfur at position 1. Used to treat a wide range of infections caused by both gram-positive and gram-negative bacteria.		2.4620carbacephem;
zwitterion		antibacterial drug;
antimicrobial agent
nalmefene
nalmefene: RN given refers to 5-alpha isomer		3.8230morphinane alkaloid
nalorphine
Nalorphine: A narcotic antagonist with some agonist properties. It is an antagonist at mu opioid receptors and an agonist at kappa opioid receptors. Given alone it produces a broad spectrum of unpleasant effects and it is considered to be clinically obsolete.		3.110morphinane alkaloid
naloxone
Naloxone: A specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors.. naloxone : A synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, and the methyl group attached to the nitrogen has been replaced by an allyl group. A specific opioid antagonist, it is used (commonly as its hydrochloride salt) to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.		3.110morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
oxycodone
Oxycodone: A semisynthetic derivative of CODEINE.. oxycodone : A semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain.		3.110organic heteropentacyclic compound;
semisynthetic derivative		antitussive;
mu-opioid receptor agonist;
opioid analgesic
oxymorphone
Oxymorphone: An opioid analgesic with actions and uses similar to those of MORPHINE, apart from an absence of cough suppressant activity. It is used in the treatment of moderate to severe pain, including pain in obstetrics. It may also be used as an adjunct to anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1092)		3.5320morphinane alkaloid
topiramate
Topiramate: A sulfamate-substituted fructose analog that was originally identified as a hypoglycemic agent. It is used for the treatment of EPILEPSY and MIGRAINE DISORDERS, and may also promote weight loss.. topiramate : A hexose derivative that is 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose in which the hydroxy group has been converted to the corresponding sulfamate ester. It blocks voltage-dependent sodium channels and is used as an antiepileptic and for the prevention of migraine.		2.0510cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
6alpha-hydroxy-17beta-estradiol
6alpha-hydroxy-17beta-estradiol : A 4-hydroxy steroid that consists of 17beta-estradiol bearing an additional 6alpha-hydroxy substituent.		3.1106alpha-hydroxy steroid
morphine
Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.		3.5320morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
nalbuphine
Nalbuphine: A narcotic used as a pain medication. It appears to be an agonist at KAPPA RECEPTORS and an antagonist or partial agonist at MU RECEPTORS.		3.5320organic heteropentacyclic compoundmu-opioid receptor antagonist;
opioid analgesic
nateglinide
Nateglinide: A phenylalanine and cyclohexane derivative that acts as a hypoglycemic agent by stimulating the release of insulin from the pancreas. It is used in the treatment of TYPE 2 DIABETES.. nateglinide : An N-acyl-D-phenylalanine resulting from the formal condensation of the amino group of D-phenylalanine with the carboxy group of trans-4-isopropylcyclohexanecarboxylic acid. An orally-administered, rapidly-absorbed, short-acting insulinotropic agent, it is used for the treatment of type 2 diabetes mellitus.		2.0710phenylalanine derivative
bisdemethoxycurcumin
curcumin III: structure in first source. bisdemethoxycurcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups.		2.4420beta-diketone;
diarylheptanoid;
enone;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite
chrysotoxine
chrysotoxine: inhibits 6-hydroxydopamine induced apoptosis in SH-SY5Y cells via mitochondria protection and NF-κB modulation; structure in first source		2.0310
cinnamyl alcohol
cinnamyl alcohol: RN given refers to parent cpd without isomeric designation. (E)-cinnamyl alcohol : The E (trans) stereoisomer of cinnamyl alcohol.. cinnamyl alcohol : A primary alcohol comprising an allyl core with a hydroxy substituent at the 1-position and a phenyl substituent at the 3-position (geometry of the C=C bond unspecified).		3.110cinnamyl alcoholplant metabolite
ginnalin a
ginnalin A: isolated from Acer pycnanthum; structure in first source		2.0710
licochalcone a
licochalcone A: has both anti-inflammatory and antineoplastic activities; structure given in first source; isolated from root of Glycyrrhiza inflata; RN given refers to (E)-isomer		2.1310chalcones
luteolin 4'-o-glucoside
luteolin 4'-O-glucoside: from Kummerowia striata. luteolin-4'-O-beta-D-glucopyranoside : A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isolated from Olea europaea.		210beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		plant metabolite
methyl linolenate
[no description available]		2.0510fatty acid methyl esterinsect attractant;
plant metabolite
3',4',7-trihydroxyflavone
3',4',7-trihydroxyflavone: from the Sudanese medicinal plant Albizia zygia; structure in first source		210flavones
furazolidone
[no description available]		2.4620
fluvoxamine
Fluvoxamine: A selective serotonin reuptake inhibitor that is used in the treatment of DEPRESSION and a variety of ANXIETY DISORDERS.. fluvoxamine : An oxime O-ether that is benzene substituted by a (1E)-N-(2-aminoethoxy)-5-methoxypentanimidoyl group at position 1 and a trifluoromethyl group at position 4. It is a selective serotonin reuptake inhibitor that is used for the treatment of obsessive-compulsive disorder.		2.7530(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime		antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
5-hydroxy-3,3',4',7-tetramethoxyflavone
5-hydroxy-3,7,3',4'-tetramethoxyflavone: from the rhizome of Kaempferia parviflora; inhibits monocyte adhesion and cellular reactive oxygen species production in human umbilical vein endothelial cells. 5-hydroxy-3,3',4',7-tetramethoxyflavone : A monohydroxyflavone that is 5-hydroxyflavone which is substituted by methoxy groups at positions 3,3',4' and 7.		2.05103'-methoxyflavones;
monohydroxyflavone;
tetramethoxyflavone		plant metabolite
6,7-dihydroxyflavone
6,7-dihydroxyflavone: intensifies effect of antibiotics on Staphylococcus aureus; structure in first source		210
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid : A dihydroxy monocarboxylic acid that is N-isopropylindole which is substituted at position 3 by a p-fluorophenyl group and at position 2 by a 6-carboxy-3,5-dihydroxyhex-1-en-1-yl group. It has four possible diastereoisomers.		2.0510dihydroxy monocarboxylic acid;
indoles;
organofluorine compound
octylmethoxycinnamate
[no description available]		2.4620cinnamate ester
levorphanol
Levorphanol: A narcotic analgesic that may be habit-forming. It is nearly as effective orally as by injection.		3.110morphinane alkaloid
naltrexone
Naltrexone: Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of NALOXONE. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence.. naltrexone : An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence.		3.8230cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
butorphanol
Butorphanol: A synthetic morphinan analgesic with narcotic antagonist action. It is used in the management of severe pain.. butorphanol : Levorphanol in which a hydrogen at position 14 of the morphinan skeleton is substituted by hydroxy and one of the hydrogens of the N-methyl group is substituted by cyclopropyl. A semi-synthetic opioid agonist-antagonist analgesic, it is used as its (S,S)-tartaric acid salt for relief or moderate to severe pain.		2.0710morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
lisinopril
Lisinopril: One of the ANGIOTENSIN-CONVERTING ENZYME INHIBITORS (ACE inhibitors), orally active, that has been used in the treatment of hypertension and congestive heart failure.		2.4620dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
benazepril
benazepril: structure given in first source. benazepril : A benzazepine that is benazeprilat in which the carboxy group of the 2-amino-4-phenylbutanoic acid moiety has been converted to the corresponding ethyl ester. It is used (generally as its hydrochloride salt) as a prodrug for the angiotensin-converting enzyme inhibitor benazeprilat in the treatment of hypertension and heart failure.		2.4620benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
indinavir sulfate
Indinavir: A potent and specific HIV protease inhibitor that appears to have good oral bioavailability.		2.0710dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
vinblastine sulfate
[no description available]		2.4620
nitrofurazone
Nitrofurazone: A topical anti-infective agent effective against gram-negative and gram-positive bacteria. It is used for superficial WOUNDS AND INJURIES and skin infections. Nitrofurazone has also been administered orally in the treatment of TRYPANOSOMIASIS.. nitrofurazone : A semicarbazone resulting from the formal condensation of semicarbazide with 5-nitrofuraldehyde. A broad spectrum antibacterial drug, although with little activity against Pseudomonas species, it is used as a local application for burns, ulcers, wounds and skin infections.		2.0510
trientine hydrochloride
[no description available]		2.4620
n-(p-coumaroyl)serotonin
N-(p-coumaroyl)serotonin: structure in first source		2.0610carboxamide;
hydroxyindoles
dextromethorphan hydrobromide
dextromethorphan hydrobromide : The hydrobromide and monohydrate of the antitussive drug dextromethorphan.		2.4620hydrate;
hydrobromide
indinavir sulfate
[no description available]		2.0510azaheterocycle sulfate salt
normorphine
normorphine: RN given refers to (5 alpha,6 alpha)-isomer		3.110morphinane alkaloid
ximelagatran
ximelagatran: prodrug (via hydroxylation) of melagatran & a direct thrombin inhibitor; liver toxicity concerns so AZD0837 being developed to replace this. ximelagatran : A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted to the corresponding ethyl ester and in which the amidine group has been converted into the corresponding amidoxime. A prodrug for melagatran, ximelagatran was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage.		2.0510amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
ceftriaxone
[no description available]		2.07101,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
ceftazidime
[no description available]		2.7530cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
naltrindole benzofuran
naltrindole benzofuran: structure given in first source		3.110morphinane alkaloid
naltrindole
naltrindole: delta opioid receptor antagonist		3.110isoquinolines
famotidine
[no description available]		2.46201,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
fenoterol
fenoterol hydrobromide : The hydrobromide salt of fenoterol. A beta2-adrenergic agonist, it is used as a bronchodilator in the management of reversible airway obstruction.		2.4620hydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
aztreonam
[no description available]		2.7530beta-lactam antibiotic allergen;
monobactam		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
n-feruloylserotonin
N-feruloylserotonin: structure in first source. N-feruloylserotonin : A member of the class of hydroxyindoles that is the N-feruloyl derivative of serotonin.		2.0610aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide		plant metabolite
enclomiphene citrate
[no description available]		2.0510
diphenoxylate hydrochloride
diphenoxylate hydrochloride : The hydrochloride salt of diphenoxylate.		2.4620hydrochlorideantidiarrhoeal drug
bafilomycin a1
bafilomycin A1: from Streptomyces griseus; structure given in first source. bafilomycin A1 : The most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus.		1.9910cyclic hemiketal;
macrolide antibiotic;
oxanes		apoptosis inducer;
autophagy inhibitor;
bacterial metabolite;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
ferroptosis inhibitor;
fungicide;
potassium ionophore;
toxin
ergonovine maleate
ergometrine maleate : A maleate salt resulting form the reaction of equimolar amounts of maleic acid and ergometrine. It is used in the active management of the third stage of labour, and to prevent or treat postpartum of postabortal haemorrhage caused by uterine atony: by maintaining uterine contraction and tone, blood vessels in the uterine wall are compressed and blood flow reduced.		2.4620maleate saltdiagnostic agent;
oxytocic
kme 4
KME 4: structure given in first source		1.9710
19-hydroxycholesterol
19-hydroxycholesterol: structure given in first source		3.110cholestanoid
methyl chlorogenate
methyl chlorogenate: from Eriobotrya japonica; structure in first source		210quinic acid
isoacteoside
isoacteoside: a phenylethanoid glycoside isolated from Indian paintbrush (Verbenaceae) Castilleja linariaefolia; also in other plants; structure given in first source		2.4220hydroxycinnamic acid
borneol
[no description available]		3.110borneol
dantrolene sodium
dantrolene sodium (anhydrous) : The anhydrous sodium salt of dantrolene.		2.4620
nitrofurantoin
Nitrofurantoin: A urinary anti-infective agent effective against most gram-positive and gram-negative organisms. Although sulfonamides and antibiotics are usually the agents of choice for urinary tract infections, nitrofurantoin is widely used for prophylaxis and long-term suppression.. nitrofurantoin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA.		2.7530imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
dantrolene
[no description available]		2.0710
ursodoxicoltaurine
tauroursodeoxycholate : An organosulfonate oxoanion that is the conjugate base of tauroursodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.. tauroursodeoxycholic acid : A bile acid taurine conjugate derived from ursoodeoxycholic acid.		2.0510bile acid taurine conjugateanti-inflammatory agent;
apoptosis inhibitor;
bone density conservation agent;
cardioprotective agent;
human metabolite;
neuroprotective agent
molindone hydrochloride
[no description available]		2.4620indoles
gentamicin sulfate
[no description available]		2.4720
norcodeine
norcodeine: RN given refers to (5 alpha,6 alpha)-isomer. norcodeine : A morphinane-like compound that is the N-demethylated derivative of codeine.		3.110morphinane alkaloid
negundoside
negundoside: an antioxidant irridiod glycoside from leaves of Vitex negundo; structure in first source		2.0210
4-hydroxyestrone
4-hydroxyestrone : A 4-hydroxy steroid that is estrone substituted by a hydroxy group at position 4.		3.11017-oxo steroid;
3-hydroxy steroid;
4-hydroxy steroid;
catechols;
phenolic steroid		carcinogenic agent;
estrogen;
human urinary metabolite
4-ethoxy-3-phenylsulfonylfuroxan
[no description available]		2.4320
artenimol
artenimol: derivative of antimalarial drug artemisinin (quinghaosu)		2.0510
11 beta-hydroxyandrosterone
11 beta-hydroxyandrosterone: RN given refers to (3alpha,5alpha,11beta)-isomer; structure		3.1103-hydroxy steroidandrogen
nymphaeol c
nymphaeol C: from the leaves of Macaranga tanarius; structure in first source. nymphaeol C : A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3' and 4', a geranyl group at position 2' and a prenyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity.		2.02104'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger
2-hydroxyestriol
2-hydroxyestriol: structure		3.110
homatropine methylbromide
homatropine methylbromide: RN given refers to bromide (endo-(+-))-isomer		2.0710
3,7-dihydroxy-2,4-dimethoxyphenanthrene
3,7-dihydroxy-2,4-dimethoxyphenanthrene: from the orchid Scaphyglottis livida; structure in first source		2.0810
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one: a macrophage TNF-alpha antagonist; structure in first source		2.0210diarylheptanoid;
enone;
phenols		plant metabolite
baci-im
[no description available]		2.4620homodetic cyclic peptide;
polypeptide;
zwitterion		antibacterial agent;
antimicrobial agent
hydroxymatairesinol
hydroxymatairesinol: a plant lignan from Norway spruce (Picea abies); structure in first source		2.1510
cambogin
isogarcinol: has immunosuppresant activity; isolated from Garcinia mangostana; structure in first source		2.1110
2,3,6-tribromo-4,5-dihydroxybenzyl methyl ether
2,3,6-tribromo-4,5-dihydroxybenzyl methyl ether: structure in first source		2.0310
cytidine diphosphate choline
[no description available]		2.4620nucleotide-(amino alcohol)s;
phosphocholines		human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite
thiopental sodium
thiopental sodium : An organic sodium salt having thiopental(1-) as the counter-ion.		1.9510organic sodium saltintravenous anaesthetic
amodiaquine hydrochloride
[no description available]		2.0710
clindamycin hydrochloride
[no description available]		2.4620S-glycosyl compound
quinine sulfate
[no description available]		2.4620hydrate
quercetin
[no description available]		2.0510
cefotiam hydrochloride
[no description available]		2.4620
potassium aminobenzoate
[no description available]		2.4620
ampicillin sodium
[no description available]		2.0510organic sodium salt
methicillin sodium
[no description available]		2.4620organic sodium salt
nafcillin sodium
[no description available]		2.4620organic sodium salt
penicillin g sodium
[no description available]		2.4620organic sodium salt
cefamandole nafate
cefamandole sodium : An organic sodium salt that is the sodium salt of cefamandole.		2.4620organic sodium saltantibacterial drug
cephapirin sodium
cephapirin sodium : The sodium salt of cephapirin. A first-generation cephalosporin antibiotic, it is effective against gram-negative and gram-positive organisms. Being more resistant to beta-lactamases than penicillins, it is effective agains most staphylococci, though not methicillin-resistant staphylococci.		2.4620cephalosporin;
organic sodium salt		antibacterial drug
sodium cephalothin
[no description available]		2.4620organic sodium salt
dicloxacillin sodium
[no description available]		2.4620hydrate
azlocillin sodium
[no description available]		2.4620organic sodium salt
(E)-1,7-Bis(4-hydroxyphenyl)hept-4-en-3-one
[no description available]		1.9910diarylheptanoid
catechin
[no description available]		2.0510
ascorbic acid
Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.		6.78300ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
novobiocin
Novobiocin: An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189). novobiocin : A coumarin-derived antibiotic obtained from Streptomyces niveus.		4.5840carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent
tetracycline
Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.		4.0540
minocycline
Minocycline: A TETRACYCLINE analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant STAPHYLOCOCCUS infections.. minocycline : A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.		2.0710
piroxicam
[no description available]		2.7530benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
acenocoumarol
Acenocoumarol: A coumarin that is used as an anticoagulant. Its actions and uses are similar to those of WARFARIN. (From Martindale, The Extra Pharmacopoeia, 30th ed, p233). acenocoumarol : A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group.		2.4620C-nitro compound;
hydroxycoumarin;
methyl ketone		anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
mobic
Meloxicam: A benzothiazine and thiazole derivative that acts as a NSAID and cyclooxygenase-2 (COX-2) inhibitor. It is used in the treatment of RHEUMATOID ARTHRITIS; OSTEOARTHRITIS; and ANKYLOSING SPONDYLITIS.. meloxicam : A benzothiazine that is piroxicam in which the pyridin-2-yl group is replaced by a 5-methyl-1,3-thiazol-2-yl group. A non-steroidal anti-inflammatory drug and selective inhibitor of COX-2, it is used particularly for the management of rheumatoid arthritis.		2.05101,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
isoxicam
isoxicam : A monocarboxylic acid amide that is piroxicam in which the pyrid-2-yl group is replaced by a 5-methyl-1,2-oxazol-3-yl group. A non-steroidal anti-inflammatory drug, it was withdrawn from the market in the 1980s following its association with cases of Stevens-Johnson syndrome.		2.4620benzothiazine;
isoxazoles;
monocarboxylic acid amide		antirheumatic drug;
non-steroidal anti-inflammatory drug
warfarin
Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.		2.9440benzenes;
hydroxycoumarin;
methyl ketone
chlortetracycline hydrochloride
Alexomycin: a thiopeptide; a cyclic peptide antibiotic produced by Streptomyces arginensis isolated from the soil		2.4620
4-hydroxycoumarin
2-hydroxychromone: structure		3.5220hydroxycoumarin
sudoxicam
sudoxicam: proposed ant-inflammatory agent; minor descriptor (75-86); on-line & INDEX MEDICUS search THIAZINES (75-86)		2.0510
methacycline monohydrochloride
[no description available]		2.4620
minocycline hydrochloride
[no description available]		2.4620
demeclocycline hydrochloride
demeclocycline hydrochloride : The hydrochloride salt of demeclocycline. A tetracycline antibiotic, it is used (mainly as the hydrochloride) for the treatment of Lyme disease, acne and bronchitis, as well as for hyponatraemia (low blood sodium concentration) due to the syndrome of inappropriate antidiuretic hormone (SIADH) where fluid restriction alone has been ineffective.		2.4620
folic acid
folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin.		2.4620folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
rifampin
Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160)		4.2550cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
clozapine
Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.		4.0540benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
dacarbazine
(E)-dacarbazine : A dacarbazine in which the N=N double bond adopts a trans-configuration.		2.7530dacarbazine
didanosine
Didanosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. Didanosine is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase; ddI is then metabolized to dideoxyadenosine triphosphate, its putative active metabolite.. didanosine : A purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen. An antiviral drug, it is used as a medication to treat HIV/AIDS.		2.7530purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
olanzapine
Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy.. olanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4.		2.0710benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
allopurinol
Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.. allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring.		4.460nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
citrovorum factor
[no description available]		2.4620tetrahydrofolic acid
norclozapine
norclozapine: structure given in first source. N-desmethylclozapine : A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist.		3.110dibenzodiazepine;
organochlorine compound;
piperazines		delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
rifabutin
[no description available]		2.4620
asoxime chloride
[no description available]		2.4110
pralidoxime chloride
[no description available]		2.4110organic chloride salt;
pyridinium salt		cholinergic drug;
cholinesterase reactivator
obidoxime chloride
[no description available]		2.4110
ConditionIndicatedRelationship StrengthStudiesTrials
Anoxemia
[description not available]		02.3820
Coma
A profound state of unconsciousness associated with depressed cerebral activity from which the individual cannot be aroused. Coma generally occurs when there is dysfunction or injury involving both cerebral hemispheres or the brain stem RETICULAR FORMATION.		02.3820
Hypoxia
Sub-optimal OXYGEN levels in the ambient air of living organisms.		02.3820
Asthma, Bronchial
[description not available]		01.9710
Asthma
A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL).		13.9710
Bilirubinemia
[description not available]		02.9210
Benign Neoplasms
[description not available]		04.740
Neoplasms
New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.		04.740
Injury, Ischemia-Reperfusion
[description not available]		0210
Reperfusion Injury
Adverse functional, metabolic, or structural changes in tissues that result from the restoration of blood flow to the tissue (REPERFUSION) following ISCHEMIA.		0210
MPTP Neurotoxicity Syndrome
[description not available]		02.0210
Arteriosclerosis
Thickening and loss of elasticity of the walls of ARTERIES of all sizes. There are many forms classified by the types of lesions and arteries involved, such as ATHEROSCLEROSIS with fatty lesions in the ARTERIAL INTIMA of medium and large muscular arteries.		02.0210
Anasarca
[description not available]		02.7330
Edema
Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE.		02.7330
Glial Cell Tumors
[description not available]		02.0310
Glioma
Benign and malignant central nervous system neoplasms derived from glial cells (i.e., astrocytes, oligodendrocytes, and ependymocytes). Astrocytes may give rise to astrocytomas (ASTROCYTOMA) or glioblastoma multiforme (see GLIOBLASTOMA). Oligodendrocytes give rise to oligodendrogliomas (OLIGODENDROGLIOMA) and ependymocytes may undergo transformation to become EPENDYMOMA; CHOROID PLEXUS NEOPLASMS; or colloid cysts of the third ventricle. (From Escourolle et al., Manual of Basic Neuropathology, 2nd ed, p21)		02.0310
Muscle Contraction
A process leading to shortening and/or development of tension in muscle tissue. Muscle contraction occurs by a sliding filament mechanism whereby actin filaments slide inward among the myosin filaments.		02.0310
Plasmodium falciparum Malaria
[description not available]		02.0510
Malaria, Falciparum
Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations.		02.0510
Acute Liver Injury, Drug-Induced
[description not available]		02.7530
Chemical and Drug Induced Liver Injury
A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.		02.7530
Innate Inflammatory Response
[description not available]		02.0510
Inflammation
A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.		02.0510
Adverse Drug Event
[description not available]		02.0710
Drug-Related Side Effects and Adverse Reactions
Disorders that result from the intended use of PHARMACEUTICAL PREPARATIONS. Included in this heading are a broad variety of chemically-induced adverse conditions due to toxicity, DRUG INTERACTIONS, and metabolic effects of pharmaceuticals.		02.0710
Atherogenesis
[description not available]		02.0810
Alloxan Diabetes
[description not available]		02.0810
Diabetes Mellitus, Adult-Onset
[description not available]		02.0810
Hyperlipemia
[description not available]		02.0810
Diabetes Mellitus, Type 2
A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY.		02.0810
Hyperlipidemias
Conditions with excess LIPIDS in the blood.		02.0810
Atherosclerosis
A thickening and loss of elasticity of the walls of ARTERIES that occurs with formation of ATHEROSCLEROTIC PLAQUES within the ARTERIAL INTIMA.		02.0810
Bacterial Disease
[description not available]		02.5220
Fungal Diseases
[description not available]		02.5220
Bacterial Infections
Infections by bacteria, general or unspecified.		02.5220
Mycoses
Diseases caused by FUNGI.		02.5220
Ache
[description not available]		02.110
Pain
An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.		02.110
Koch's Disease
[description not available]		02.1110
Tuberculosis
Any of the infectious diseases of man and other animals caused by species of MYCOBACTERIUM TUBERCULOSIS.		02.1110
Adjuvant Arthritis
[description not available]		02.1110
Anemia, Fanconi
[description not available]		02.1310
Fanconi Anemia
Congenital disorder affecting all bone marrow elements, resulting in ANEMIA; LEUKOPENIA; and THROMBOPENIA, and associated with cardiac, renal, and limb malformations as well as dermal pigmentary changes. Spontaneous CHROMOSOME BREAKAGE is a feature of this disease along with predisposition to LEUKEMIA. There are at least 7 complementation groups in Fanconi anemia: FANCA, FANCB, FANCC, FANCD1, FANCD2, FANCE, FANCF, FANCG, and FANCL. (from Online Mendelian Inheritance in Man, http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=227650, August 20, 2004)		02.1310
Extravascular Hemolysis
[description not available]		02.1310
Hemolysis
The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity.		02.1310
Acute Confusional Senile Dementia
[description not available]		02.8330
Alzheimer Disease
A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)		02.8330
Degenerative Diseases, Central Nervous System
[description not available]		03.0610
Neurodegenerative Diseases
Hereditary and sporadic conditions which are characterized by progressive nervous system dysfunction. These disorders are often associated with atrophy of the affected central or peripheral nervous system structures.		03.0610
Bladder Cancer
[description not available]		02.2510
Urinary Bladder Neoplasms
Tumors or cancer of the URINARY BLADDER.		02.2510
Congenital Zika Syndrome
[description not available]		02.2510
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.2510
Zika Virus Infection
A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.		02.2510
Cancer of Lung
[description not available]		02.0710
Experimental Lung Inflammation
Inflammation of any part, segment or lobe, of the lung parenchyma.		02.0710
Lung Neoplasms
Tumors or cancer of the LUNG.		02.0710
Pneumonia
Infection of the lung often accompanied by inflammation.		02.0710
Body Weight
The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.		01.9810
Allergic Contact Dermatitis
[description not available]		01.9910
Dermatitis, Allergic Contact
A contact dermatitis due to allergic sensitization to various substances. These substances subsequently produce inflammatory reactions in the skin of those who have acquired hypersensitivity to them as a result of prior exposure.		01.9910