harman profile

harman: a beta-carboline; RN given refers to parent cpd; structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A. [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]

Related Flora

Flora	Rank	Flora Definition	Family	Family Definition
Peganum	genus	A plant genus of the family ZYGOPHYLLACEAE. HARMALINE and other ALKALOIDS, phenylpropanoids, and TRITERPENES have been found in plants of this genus.[MeSH]	Nitrariaceae	[no description available]
Passiflora	genus	A plant genus of the family Passifloraceae, order Violales, subclass Dilleniidae, class Magnoliopsida. They are vines with ornamental flowers and edible fruit.[MeSH]	Passifloraceae	A plant family of the order Violales, subclass Dilleniidae, class Magnoliopsida that are herbaceous or woody vines, shrubs, and trees, mostly of warm regions. Many have tendrils in leaf axils. Leaves are alternate. Flowers have 3-5 sepals, petals and stamens. Nearly all species have seeds that bear a fleshy appendage called an aril.[MeSH]
Sickingia	genus	[no description available]	Rubiaceae	The Madder plant family of the order Gentianales (formerly Rubiales), subclass Asteridae, class Magnoliopsida includes important medicinal plants that provide QUININE; IPECAC; and COFFEE. They have opposite leaves and interpetiolar stipules.[MeSH]
Tribulus	genus	A plant genus of the family ZYGOPHYLLACEAE. Members contain steroidal saponins. Ingestion by grazing animals causes PHOTOSENSITIVITY DISORDERS called geeldikkop (yellow thick head) in South Africa.[MeSH]	Zygophyllaceae	A plant family of the order Sapindales, subclass Rosidae, class Magnoliopsida which is a small family of small trees and shrubs growing in arid and warm regions.[MeSH]
Banisteriopsis	genus	A plant genus of the family MALPIGHIACEAE which includes an Amazonian psychoactive plant that contains the beta-carboline harmine and N,N-dimethyltryptamine.[MeSH]	Malpighiaceae	A plant family of the order Polygalales, subclass Rosidae class, Magnoliopsida that are mostly shrubs and small trees. Many of the members contain indole alkaloids.[MeSH]
Peganum harmala	species	[no description available]	Nitrariaceae	[no description available]
Passiflora incarnata	species	[no description available]	Passifloraceae	A plant family of the order Violales, subclass Dilleniidae, class Magnoliopsida that are herbaceous or woody vines, shrubs, and trees, mostly of warm regions. Many have tendrils in leaf axils. Leaves are alternate. Flowers have 3-5 sepals, petals and stamens. Nearly all species have seeds that bear a fleshy appendage called an aril.[MeSH]
Sickingia rubra	species	[no description available]	Rubiaceae	The Madder plant family of the order Gentianales (formerly Rubiales), subclass Asteridae, class Magnoliopsida includes important medicinal plants that provide QUININE; IPECAC; and COFFEE. They have opposite leaves and interpetiolar stipules.[MeSH]
Tribulus terrestris	species	[no description available]	Zygophyllaceae	A plant family of the order Sapindales, subclass Rosidae, class Magnoliopsida which is a small family of small trees and shrubs growing in arid and warm regions.[MeSH]
Banisteriopsis caapi	species	[no description available]	Malpighiaceae	A plant family of the order Polygalales, subclass Rosidae class, Magnoliopsida that are mostly shrubs and small trees. Many of the members contain indole alkaloids.[MeSH]

ID Source	ID
PubMed CID	5281404
CHEMBL ID	12014
CHEBI ID	5623
SCHEMBL ID	141723
MeSH ID	M0046284

Synonym
AC-15673
9h-pyrido(3,4-b)indole, 1-methyl-
einecs 207-642-2
nsc 54439
ccris 6419
1-methyl-9h-pyrido(3,4-b)indole
brn 0143898
HMS3267O04
BB 0254238
BRD-K12630395-003-03-8
wln: t b656 en hmj f
loturine
NSC54439 ,
1-methylnorharman
nsc-54439
1-methyl-9h-pyrid[3,4-b]indole
aribine
harmane
aribin
passiflorin
pyridobindole, l-methyl-
3-methyl-4-carboline
1-methyl-9h-pyrido[3,4-b]indole
locuturin
locuturine
1-methyl-.beta.-carboline
DIVK1C_006705
SDCCGMLS-0066938.P001
EU-0100605
SPECTRUM_001126
cas-21655-84-5
lopac-h-7258
NCGC00025022-01
NCGC00015514-01
tocris-1132
NCGC00015514-02
PRESTWICK3_000620
LOPAC0_000605
BPBIO1_000616
PRESTWICK2_000620
OPREA1_152883
BSPBIO_000560
1-methyl-9h-beta-carboline
inchi=1/c12h10n2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14h,1h
9h-pyrido[3,4-b]indole, 1-methyl-
AB00052849
486-84-0
C09209
harman
harmane, 98%
NCGC00025022-06
NCGC00025022-03
KBIO3_001850
KBIO2_001606
KBIOSS_001606
KBIO1_001649
KBIO2_004174
KBIOGR_001465
KBIO2_006742
SPBIO_002779
SPECPLUS_000609
SPECTRUM3_000905
PRESTWICK1_000620
SPECTRUM4_001003
PRESTWICK0_000620
SPECTRUM1500866
NCGC00025022-05
NCGC00025022-04
NCGC00025022-02
smr000538681
MLS001173587
harmane, free base
H-1150
STK501254
NCGC00015514-04
H 7258
NCGC00015514-10
chebi:5623 ,
CHEMBL12014 ,
l-methylpyridobindole
1-methyl-2-carboline
cid_5281404
1-methyl-9h-beta-carboline (harman)
1-methyl-beta-carboline
bdbm50013786
AKOS002664659
HMS3261J12
harmane ( 1-methyl-9h-pyrido[3,4-b]indole)
CCG-204694
NCGC00015514-05
NCGC00015514-07
NCGC00015514-08
NCGC00015514-06
NCGC00015514-03
NCGC00015514-09
ST013856
methylbeta-carboline
HMS2858P09
5-23-08-00261 (beilstein handbook reference)
82d6j0535p ,
unii-82d6j0535p
FT-0626859
LP00605
harman [mi]
passiflorin-13c2,15n
SCHEMBL141723
tox21_500605
NCGC00261290-01
1-methyl-9h-pyrid(3,4-b)indole
1-methyl-9h-beta-carboline #
mfcd00004957
DTXSID80197568
passiflorine
zygofabagine
l-methyl-pyridobindole
1-methyl-9h-pyrido[3,4-b]indole, 9ci
SR-01000075915-1
SR-01000075915-7
SR-01000075915-8
sr-01000075915
CS-0021283
HB1665
HMS3676K19
1-methyl-9h-i(2)-carboline
AS-42735
HMS3412K19
Q15411006
AMY211
SDCCGSBI-0050587.P003
BCP31368
NCGC00015514-16
cyanoaceticacid-osu
HY-101392
cn9 ,
1-methyl-9h-pyrido[3,4-6]indole

Excerpt	Reference	Relevance
"Harmane is a known tremorigenic β-carboline (a type of heterocyclic amine) found in cooked meat, roasted coffee beans, and tobacco."	( From the Cover: Harmane-Induced Selective Dopaminergic Neurotoxicity in Caenorhabditis elegans. Agim, ZS; Cannon, JR; Sammi, SR, 2018)	1.55
"Harmane is an active component of clonidine displacing substance and a candidate endogenous ligand for imidazoline binding sites. "	( Harmane: an atypical neurotransmitter? Abu Ghazaleh, H; Hudson, AL; Lalies, MD; Nutt, DJ, 2015)	3.3
"Harman is a common compound in several foods, plants and beverages. "	( Harman induces CYP1A1 enzyme through an aryl hydrocarbon receptor mechanism. El Gendy, MA; El-Kadi, AO, 2010)	3.25
"Harmane (HA) is a β-carboline alkaloid derived from the Peganum harmala plant which induces memory impairment. "	( Involvement of nitrergic system of CA1in harmane induced learning and memory deficits. Abdollahian, M; Nasehi, M; Piri, M; Zarrindast, MR, 2013)	2.1

Excerpt	Reference	Relevance
"Harmane has also been shown to act on a variety of receptor systems in the mammalian brain, including those for serotonin, dopamine and benzodiazepines."	( Involvement of dopamine D1/D2 receptors on harmane-induced amnesia in the step-down passive avoidance test. Farzin, D; Nasehi, M; Nayer-Nouri, T; Nouri, M; Piri, M; Zarrindast, MR, 2010)	1.34
"nor-Harmane has never been used as a UV-MALDI matrix for the analysis of pectins but its use avoids pre-treatment of the sample, such as an enzymatic digestion or an acid hydrolysis, and there is no need to add salts, making the analysis easier and faster."	( Structural characterization of native high-methoxylated pectin using nuclear magnetic resonance spectroscopy and ultraviolet matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. Comparative use of 2,5-dihydroxybenzoic acid and nor Erra-Balsells, R; Kolender, AA; Monge, ME; Negri, RM, 2007)	0.82
"Harmane has been previously found in rat brain and human urine, so it is the most potent endogenous inhibitor of specific [3H]-flunitrazepam binding known so far, with a several fold higher affinity for the benzodiazepine receptor than inosine and hypoxanthine."	( 1-Methyl-beta-carboline (harmane), a potent endogenous inhibitor of benzodiazepine receptor binding. Borbe, HO; Fehske, KJ; Müller, WE; Nanz, C; Rommelspacher, H; Wollert, U, 1980)	1.29

Excerpt	Reference	Relevance
"Harmane treatment decreased the retention latency significantly and dose dependently, which indicates an impairment in learning."	( Effect of harmane, an endogenous β-carboline, on learning and memory in rats. Aricioglu, F; Celikyurt, IK; Gocmez, SS; Hudson, A; Utkan, T, 2013)	1.51
"Harman pretreatment (3-30 microM) also concentration dependently inhibited the contractions induced by phenylephrine, 5-hydroxytryptamine (5-HT), and KCl in endothelium-denuded aortic rings in a non-competitive manner."	( Vasorelaxant effect of harman. Chen, CF; Chen, SY; Liao, JF; Shi, CC; Wang, GJ, 2000)	1.34
"Harman treatment (27 nmol/hr) disturbed the regular rhythms at lower ethanol concentrations but mimicked the ultradian rhythm which was observed at high ethanol concentrations in CSF-treated animals."	( Harman induces preference for ethanol in rats: is the effect specific for ethanol? Büchau, C; Rommelspacher, H; Weiss, J, 1987)	2.44
"Treatment with harmane had a profound anti-allodynic effect in a dose-dependent manner."	( Effect of harmane on mononeuropathic pain in rats. Aricioglu, F; Korcegez, E; Ozyalcin, S, 2003)	1.06

Excerpt	Reference	Relevance
" Histopathologically, rats fed 1,000 ppm harman or norharman, but not 500 ppm, demonstrated focal toxic renal degenerative/necrotic and regenerative lesions in proximal, distal, and collecting tubules."	( Dose-dependent renal tubular toxicity of harman and norharman in male F344 rats. Asakawa, E; Hagiwara, A; Hirose, M; Ito, N; Kurata, Y; Sano, M, 1992)	0.82
" Although no toxicity-related hepatocyte lesions were found, severe renal toxic tubular lesions and regeneration were evident."	( Lack of hepatotoxicity or promotion of enzyme-altered liver foci development in rats treated with harman or norharman. Hagiwara, A; Ito, N; Kato, T; Kurata, Y; Tanaka, H; Tsuda, H, 1990)	0.5
"Herbal medicines may have significant adverse effects which are not suspected or recognized."	( Toxicity of Passiflora incarnata L. Fisher, AA; Le Couteur, DG; Purcell, P, 2000)	0.31
"Passiflora incarnata was associated with significant adverse effects in this patient."	( Toxicity of Passiflora incarnata L. Fisher, AA; Le Couteur, DG; Purcell, P, 2000)	0.31
" These results suggest that neuromelanin has a critical role in HAA toxicity and adverse effects on mitochondria."	( Neuromelanin formation exacerbates HAA-induced mitochondrial toxicity and mitophagy impairments. Cannon, JR; Foguth, RM; Lawana, V; Um, SY, 2020)	0.56

Excerpt	Reference	Relevance
" Objective This study investigates the dynamic metabolic profiles and pharmacokinetic properties of harmane and its metabolites in rats in vivo."	( Pharmacokinetic study of harmane and its 10 metabolites in rat after intravenous and oral administration by UPLC-ESI-MS/MS. Cheng, X; Jiang, B; Li, S; Liu, W; Teng, L; Wang, CH; Wang, Z, 2016)	0.95

Excerpt	Reference	Relevance
" The present study was performed to investigate whether three amino compounds, 1-methyl-9H-pyrido[3,4-b]indole (harman), 9H-pyrido[3,4-b]indole (norharman) and 2-amino-1,3,4-triazole (amitrole), might be converted in vivo to compounds capable of promoting hepatocarcinogenesis when given with NaNO(2)."	( Lack of combination hepatocarcinogenicity of harman, norharman and amitrole when given with NaNO2 in the rat. Asamoto, M; Hirose, M; Ichihara, T; Imaida, K; Kawabe, M; Miyashita, K; Ogiso, T; Shirai, T; Tamano, S, 2005)	0.8
" In order to know whether harmane is extensively metabolized, a rapid and sensitive method using ultra-performance liquid chromatography combined with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (UPLC/ESI-QTOF-MS) was used to analyze the metabolic profile of harmane in vitro and in vivo in rats."	( Metabolites identification of harmane in vitro/in vivo in rats by ultra-performance liquid chromatography combined with electrospray ionization quadrupole time-of-flight tandem mass spectrometry. Cheng, X; Li, S; Liu, W; Teng, L; Wang, C; Wang, Z, 2014)	0.99

Excerpt	Reference	Relevance
" After an oral dose (20 mg/kg), the absolute bioavailability (F) was 19% for harmane and 3% for harmine."	( Toxicokinetics of tremorogenic natural products, harmane and harmine, in male Sprague-Dawley rats. Guan, Y; Louis, ED; Zheng, W, 2001)	0.79
" Studies on toxicokinetics indicate that inhalative exposure leads to a rapid increase in plasma levels and high bioavailability of norharman and harman."	( Exposure to beta-carbolines norharman and harman. Pfau, W; Skog, K, 2004)	0.81
" Although bioavailability was variable depending on the source, a healthy diet contains amounts of quercetin that might give sufficient amounts in brain to induce, by monoamine oxidase A inhibition, a small decrease in neurotransmitter breakdown."	( Dietary inhibitors of monoamine oxidase A. Dixon Clarke, SE; Ramsay, RR, 2011)	0.37
" The absolute bioavailability of harmane following an oral dose was 19."	( Pharmacokinetic study of harmane and its 10 metabolites in rat after intravenous and oral administration by UPLC-ESI-MS/MS. Cheng, X; Jiang, B; Li, S; Liu, W; Teng, L; Wang, CH; Wang, Z, 2016)	1.02
" However, its physicochemical characteristics and poor oral bioavailability have been limiting factors for its pharmaceutical development."	( Complexation with β-cyclodextrin enhances apoptosis-mediated cytotoxic effect of harman in chemoresistant BRAF-mutated melanoma cells. Almeida, JRGDS; Beaugeard, L; de Alencar Filho, EB; de Oliveira Júnior, RG; de Oliveira, AP; Ferraz, CAA; Groult, H; Nunes, XP; Picot, L, 2020)	0.78

Excerpt	Relevance	Reference
" beta CCE and beta CCtB produced dose-related, parallel shifts in the dose-response curve for the discriminative effects of diazepam, but the magnitude of the shifts was limited: the two highest doses of beta CCE and beta CCtB produced shifts that were not significantly different in magnitude."	( Beta-carbolines as antagonists of the discriminative stimulus effects of diazepam in rats. Cook, JA; Guzman, F; Hagen, TJ; Shannon, HE, 1988)	0.27
" These findings indicate that harman affects the activity of mesolimbic dopaminergic neurons following a U-shaped dose-response relationship."	( Harman-induced changes of extracellular concentrations of neurotransmitters in the nucleus accumbens of rats. Baum, SS; Hill, R; Rommelspacher, H, 1996)	2.03
" On the other hand, concentrations in the micromolar range that are reached in high dosage animal experiments with HA may well influence cytochrome activity and, thus, influence the experimental outcome of these studies."	( Modulation of cytochrome P450 1A1 by food-derived heterocyclic aromatic amines. Hümmerich, J; Pfau, W; Zohm, C, 2004)	0.32
" Dose-response curves were determined for phenylephrine and for several imidazoline ligands, using endothelium denuded, isolated ring segments, of tail arteries from adult male Sprague-Dawley rats."	( Centrally acting imidazolines stimulate vascular alpha 1A-adrenergic receptors in Rat-Tail Artery. Crane, L; Edwards, LP; George, OK; Gonzalez, RR; Kennedy, WB, )	0.13

Role	Description
anti-HIV agent	An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
plant metabolite	Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC 1.4.3.4 (monoamine oxidase) inhibitor	An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4).
[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]

Class	Description
indole alkaloid	An alkaloid containing an indole skeleton.
indole alkaloid fundamental parent
harmala alkaloid	Any member of a class of naturally occurring alkaloids based on a 1-methyl-9H-beta-carboline skeleton.
[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	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	31.7325	0.0032	45.4673	12,589.2998	AID1705; AID2517
Chain A, HADH2 protein	Homo sapiens (human)	Potency	24.4274	0.0251	20.2376	39.8107	AID886; AID893
Chain B, HADH2 protein	Homo sapiens (human)	Potency	24.4274	0.0251	20.2376	39.8107	AID886; AID893
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	24.3520	0.1778	14.3909	39.8107	AID2147
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	23.6612	5.6234	17.2929	31.6228	AID2323; AID485281
Chain A, Cruzipain	Trypanosoma cruzi	Potency	32.4648	0.0020	14.6779	39.8107	AID1476; AID1478
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	46.7690	0.1000	20.8793	79.4328	AID488772; AID588453; AID588456
ATAD5 protein, partial	Homo sapiens (human)	Potency	9.1962	0.0041	10.8903	31.5287	AID493107
NFKB1 protein, partial	Homo sapiens (human)	Potency	1.9953	0.0282	7.0559	15.8489	AID895; AID928
TDP1 protein	Homo sapiens (human)	Potency	22.3624	0.0008	11.3822	44.6684	AID686978; AID686979
Microtubule-associated protein tau	Homo sapiens (human)	Potency	0.5623	0.1800	13.5574	39.8107	AID1468
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	25.9921	0.0112	12.4002	100.0000	AID1030
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	25.1189	0.0013	18.0743	39.8107	AID926; AID938
regulator of G-protein signaling 4	Homo sapiens (human)	Potency	15.0030	0.5318	15.4358	37.6858	AID504845
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	22.5888	0.0015	30.6073	15,848.9004	AID1224819; AID1224820; AID1224821
Bloom syndrome protein isoform 1	Homo sapiens (human)	Potency	19.9526	0.5406	17.6392	96.1227	AID2364
cytochrome P450 2D6 isoform 1	Homo sapiens (human)	Potency	17.2076	0.0020	7.5337	39.8107	AID891
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1	Homo sapiens (human)	Potency	26.0529	0.0018	15.6638	39.8107	AID894
mitogen-activated protein kinase 1	Homo sapiens (human)	Potency	100.0000	0.0398	16.7842	39.8107	AID995
DNA polymerase iota isoform a (long)	Homo sapiens (human)	Potency	100.0000	0.0501	27.0736	89.1251	AID588590
cytochrome P450 3A4 isoform 1	Homo sapiens (human)	Potency	3.9811	0.0316	10.2792	39.8107	AID884; AID885
muscarinic acetylcholine receptor M1	Rattus norvegicus (Norway rat)	Potency	25.1189	0.0010	6.0009	35.4813	AID943
lethal factor (plasmid)	Bacillus anthracis str. A2012	Potency	1.9953	0.0200	10.7869	31.6228	AID912
neuropeptide S receptor isoform A	Homo sapiens (human)	Potency	5.0119	0.0158	12.3113	615.5000	AID1461
Gamma-aminobutyric acid receptor subunit pi	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)	Potency	15.8489	0.3162	12.7657	31.6228	AID881
Gamma-aminobutyric acid receptor subunit beta-1	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit delta	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-5	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-3	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-1	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-2	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-4	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-3	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-6	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Histamine H2 receptor	Cavia porcellus (domestic guinea pig)	Potency	15.8489	0.0063	8.2350	39.8107	AID881
Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-3	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
GABA theta subunit	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit epsilon	Rattus norvegicus (Norway rat)	Potency	3.9811	1.0000	12.2248	31.6228	AID885
ATP-dependent phosphofructokinase	Trypanosoma brucei brucei TREU927	Potency	0.7569	0.0601	10.7453	37.9330	AID485368
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.0201	6.0000	AID40988
Gamma-aminobutyric acid receptor subunit pi	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5075	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit pi	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.6561	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.0201	6.0000	AID40988
Acetylcholinesterase	Electrophorus electricus (electric eel)	IC50 (µMol)	20.9100	0.0000	0.9453	9.9400	AID656680
Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.1494	8.0000	AID40988
Gamma-aminobutyric acid receptor subunit beta-1	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5075	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit beta-1	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.6561	10.0000	AID40666
Translocator protein	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3880	0.0001	0.6393	4.8100	AID40085
Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.0393	6.0000	AID40988
Gamma-aminobutyric acid receptor subunit delta	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5075	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit delta	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.6561	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.2915	8.0000	AID40988
Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5057	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.5614	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit alpha-5	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.4973	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit alpha-5	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.6352	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit alpha-3	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5075	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit alpha-3	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.6217	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit gamma-1	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.4988	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit gamma-1	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.6758	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit alpha-2	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5046	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit alpha-2	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.6469	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit alpha-4	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5075	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit alpha-4	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.6561	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.3018	8.0000	AID40988
Gamma-aminobutyric acid receptor subunit gamma-3	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5075	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit gamma-3	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.6561	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit alpha-6	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5075	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit alpha-6	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.6712	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	0.9800	6.0000	AID40988
Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.1993	6.0000	AID40988
Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.0201	6.0000	AID40988
Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	0.9374	6.0000	AID40988
Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.0193	6.0000	AID40988
Tryptophan 2,3-dioxygenase	Homo sapiens (human)	IC50 (µMol)	6.3100	0.1100	1.6692	9.8000	AID1886373
Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5065	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.5577	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit beta-3	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5057	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit beta-3	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.6403	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5075	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.5708	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.0201	6.0000	AID40988
Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.0201	6.0000	AID40988
Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.0201	6.0000	AID40988
GABA theta subunit	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5075	10.0000	AID40085; AID40509; AID40514
GABA theta subunit	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.6561	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.0201	6.0000	AID40988
Gamma-aminobutyric acid receptor subunit epsilon	Rattus norvegicus (Norway rat)	IC50 (µMol)	12.3920	0.0001	0.5075	10.0000	AID40085; AID40509; AID40514
Gamma-aminobutyric acid receptor subunit epsilon	Rattus norvegicus (Norway rat)	Ki	12.4000	0.0002	0.6561	10.0000	AID40666
Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)	IC50 (µMol)	12.3027	0.0001	1.0201	6.0000	AID40988
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, BCL-2-RELATED PROTEIN A1	Homo sapiens (human)	EC50 (µMol)	350.0000	8.0570	121.1218	338.0000	AID2765
bcl-2-like protein 11 isoform 1	Homo sapiens (human)	EC50 (µMol)	350.0000	8.0570	121.1218	338.0000	AID2765
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
DNA repair and recombination protein RAD54-like isoform 1	Homo sapiens (human)	AC50	58.3700	0.8140	19.3119	78.9500	AID651657
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
regulation of membrane potential	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
chemical synaptic transmission	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
signal transduction	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
regulation of membrane potential	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
chemical synaptic transmission	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
lipid metabolic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
phospholipid metabolic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
apoptotic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
negative regulation of cell population proliferation	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
positive regulation of macrophage derived foam cell differentiation	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
arachidonic acid metabolic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
negative regulation of cell migration	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
prostate gland development	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
regulation of epithelial cell differentiation	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
positive regulation of chemokine production	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
positive regulation of peroxisome proliferator activated receptor signaling pathway	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
positive regulation of keratinocyte differentiation	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
negative regulation of cell cycle	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
negative regulation of growth	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
hepoxilin biosynthetic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
endocannabinoid signaling pathway	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
cannabinoid biosynthetic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
lipoxin A4 biosynthetic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
linoleic acid metabolic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
lipid oxidation	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
lipoxygenase pathway	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
monoatomic ion transport	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
signal transduction	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
response to toxic substance	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
central nervous system neuron development	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
response to progesterone	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
ovulation cycle	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
cellular response to histamine	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
chemical synaptic transmission	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
regulation of membrane potential	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
post-embryonic development	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
adult behavior	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
cellular response to histamine	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
signal transduction	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
roof of mouth development	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
cellular response to histamine	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
chemical synaptic transmission	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
regulation of membrane potential	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
behavioral fear response	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
signal transduction	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
associative learning	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
inner ear receptor cell development	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
innervation	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
cochlea development	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
chemical synaptic transmission	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
inner ear receptor cell development	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
innervation	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
cellular response to histamine	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
cochlea development	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
regulation of membrane potential	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
tryptophan catabolic process to kynurenine	Tryptophan 2,3-dioxygenase	Homo sapiens (human)
protein homotetramerization	Tryptophan 2,3-dioxygenase	Homo sapiens (human)
response to nitroglycerin	Tryptophan 2,3-dioxygenase	Homo sapiens (human)
tryptophan catabolic process to acetyl-CoA	Tryptophan 2,3-dioxygenase	Homo sapiens (human)
negative regulation of chloride transport	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
signal transduction	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
response to xenobiotic stimulus	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
neurotransmitter transport	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
signal transduction	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
chemical synaptic transmission	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
regulation of membrane potential	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
iron ion binding	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
calcium ion binding	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
protein binding	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
lipid binding	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
linoleate 13S-lipoxygenase activity	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
arachidonate 8(S)-lipoxygenase activity	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
arachidonate 15-lipoxygenase activity	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
linoleate 9S-lipoxygenase activity	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
GABA receptor activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
ligand-gated monoatomic ion channel activity	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
GABA receptor binding	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
ligand-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
G protein-coupled neurotransmitter receptor activity involved in regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
identical protein binding	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
signaling receptor activity	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
GABA receptor binding	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
ligand-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
ligand-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
GABA receptor activity	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
tryptophan 2,3-dioxygenase activity	Tryptophan 2,3-dioxygenase	Homo sapiens (human)
protein binding	Tryptophan 2,3-dioxygenase	Homo sapiens (human)
amino acid binding	Tryptophan 2,3-dioxygenase	Homo sapiens (human)
oxygen binding	Tryptophan 2,3-dioxygenase	Homo sapiens (human)
heme binding	Tryptophan 2,3-dioxygenase	Homo sapiens (human)
identical protein binding	Tryptophan 2,3-dioxygenase	Homo sapiens (human)
metal ion binding	Tryptophan 2,3-dioxygenase	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
GABA receptor binding	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
transmembrane signaling receptor activity	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
neurotransmitter transmembrane transporter activity	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
apical plasma membrane	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
axon	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
dendrite	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
neuronal cell body	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
postsynaptic membrane	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
nucleus	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
cytosol	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
cytoskeleton	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
plasma membrane	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
adherens junction	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
focal adhesion	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
membrane	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
extracellular exosome	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
cytoplasmic vesicle membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA receptor complex	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
nuclear envelope	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
dendrite	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
presynaptic active zone membrane	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
Schaffer collateral - CA1 synapse	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
axon	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
cytoplasmic vesicle membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
cytoplasmic vesicle membrane	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
nucleoplasm	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
cytosol	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
neuronal cell body membrane	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
presynaptic membrane	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
postsynaptic membrane	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
axon	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
synaptic vesicle membrane	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
neuronal cell body	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
inhibitory synapse	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
cytoplasmic vesicle membrane	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
extracellular exosome	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
cytosol	Tryptophan 2,3-dioxygenase	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)
postsynaptic membrane	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
cerebellar Golgi cell to granule cell synapse	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
postsynaptic membrane	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
nucleolus	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
microtubule cytoskeleton	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
postsynaptic membrane	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
postsynaptic membrane	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
receptor complex	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings 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.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
AID435681	Percentage MAPKAPK2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID357034	Therapeutic index, ratio of IC50 for human H9 cells to EC50 for HIV1	2001	Journal of natural products, Jul, Volume: 64, Issue:7	Anti-AIDS agents. 46. Anti-HIV activity of harman, an anti-HIV principle from Symplocos setchuensis, and its derivatives.
AID435847	Percentage DYRK2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID521220	Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
AID423203	Cytotoxicity against mouse P388 cells	2009	Journal of natural products, Apr, Volume: 72, Issue:4	5-Bromo-8-methoxy-1-methyl-beta-carboline, an alkaloid from the New Zealand marine bryozoan Pterocella vesiculosa.
AID435417	Percentage PAK4 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID1882205	Antifungal activity against Alternaria solani relative to control	2022	European journal of medicinal chemistry, Feb-05, Volume: 229	Natural and synthetic β-carboline as a privileged antifungal scaﬀolds.
AID410367	Cytotoxicity against human HeLa cells by MTT assay	2008	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 18, Issue:24	Synthesis and cytotoxic activities of 1-benzylidine substituted beta-carboline derivatives.
AID1882206	Antifungal activity against Bipolaris maydis relative to control	2022	European journal of medicinal chemistry, Feb-05, Volume: 229	Natural and synthetic β-carboline as a privileged antifungal scaﬀolds.
AID656685	Inhibition of human AChE at 10'-4 M by Ellman's method	2012	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 22, Issue:8	Prospective acetylcholinesterase inhibitory activity of indole and its analogs.
AID103712	In vitro cytotoxic activity against MCF-7 (human breast cancer) cell line.	1999	Bioorganic & medicinal chemistry letters, Dec-06, Volume: 9, Issue:23	Antitumor agents 201. Cytotoxicity of harmine and beta-carboline analogs.
AID435669	Percentage PDK1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID338147	Antimicrobial activity against Bacillus subtilis assessed per disk
AID423205	Antimicrobial activity against Candida albicans measured per disk	2009	Journal of natural products, Apr, Volume: 72, Issue:4	5-Bromo-8-methoxy-1-methyl-beta-carboline, an alkaloid from the New Zealand marine bryozoan Pterocella vesiculosa.
AID1882173	Antifungal activity against Trichophyton interdigitale	2022	European journal of medicinal chemistry, Feb-05, Volume: 229	Natural and synthetic β-carboline as a privileged antifungal scaﬀolds.
AID435706	Percentage BRSK2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435250	Percentage MSK1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID656680	Inhibition of electric eel AChE using acetylcholine iodide as substrate measured every 5 sec for 2 mins by Ellman's method	2012	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 22, Issue:8	Prospective acetylcholinesterase inhibitory activity of indole and its analogs.
AID473138	Antiplatelet aggregation activity against collagen-induced platelet	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	A class of 3S-2-aminoacyltetrahydro-beta-carboline-3-carboxylic acids: their facile synthesis, inhibition for platelet activation, and high in vivo anti-thrombotic potency.
AID435727	Percentage JNK2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID1181717	Antimicrobial activity against promastigote stage of Leishmania infantum	2014	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 24, Issue:15	Synthesis, antileishmanial and antitrypanosomal activities of N-substituted tetrahydro-β-carbolines.
AID435373	Percentage PKCzeta activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435734	Percentage NEK6 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID40514	In vitro inhibition of 3[H]Diazepam binding to Benzodiazepine receptor from rat cerebral cortical membranes	1990	Journal of medicinal chemistry, Sep, Volume: 33, Issue:9	Synthetic and computer-assisted analyses of the pharmacophore for the benzodiazepine receptor inverse agonist site.
AID300395	Displacement of [3H]idazoxan from I2-imidazoline binding site in rabbit kidney membrane	2007	Bioorganic & medicinal chemistry, Sep-01, Volume: 15, Issue:17	Synthesis of 3,8,9-trisubstituted-1,7,9-triaza-fluorene-6-carboxylic acid derivatives as a new class of insulin secretagogues.
AID1894518	Inhibition of topoisomerase 1 (unknown origin) assessed as relaxation of pBR322 plasmid DNA and incubated for 10 mins	2021	European journal of medicinal chemistry, Apr-15, Volume: 216	β-Carbolines as potential anticancer agents.
AID435865	Percentage MKK1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID1632779	Binding affinity to calf thymus duplex DNA assessed as red shift in soret peak at 50 uM in pH 7 phosphate buffer by UV-vis spectrophotometric analysis	2016	Bioorganic & medicinal chemistry letters, 10-01, Volume: 26, Issue:19	DNA-binding studies of the natural β-carboline eudistomin U.
AID8467	In vitro cytotoxic activity was determined against lung carcinoma (A549) cell line	1999	Bioorganic & medicinal chemistry letters, Dec-06, Volume: 9, Issue:23	Antitumor agents 201. Cytotoxicity of harmine and beta-carboline analogs.
AID435867	Percentage NEK2a activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID300396	Displacement of [3H]clonidine from alpha-2-adrenoceptor in cerebral cortex of rat brain	2007	Bioorganic & medicinal chemistry, Sep-01, Volume: 15, Issue:17	Synthesis of 3,8,9-trisubstituted-1,7,9-triaza-fluorene-6-carboxylic acid derivatives as a new class of insulin secretagogues.
AID524790	Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID410369	Cytotoxicity against human BGC823 cells by MTT assay	2008	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 18, Issue:24	Synthesis and cytotoxic activities of 1-benzylidine substituted beta-carboline derivatives.
AID1478469	Antiproliferative activity against human HL60 cells by tryphan blue assay	2017	Journal of natural products, 02-24, Volume: 80, Issue:2	Structurally Diverse Alkaloids from the Seeds of Peganum harmala.
AID1886370	Inhibition of IDO1 (unknown origin) assessed as reduction in kynurenine production using L-tryptophan as substrate at 50 uM incubated for 1 hr by absorbance based microplate reader analysis relative to control	2022	Journal of medicinal chemistry, 08-25, Volume: 65, Issue:16	Discovery of 1-(Hetero)aryl-β-carboline Derivatives as IDO1/TDO Dual Inhibitors with Antidepressant Activity.
AID558029	Antiviral activity against JC polyomavirus M1/SVEdelta infected in human SVG-A cells assessed as inhibition of viral replication after 3 days	2009	Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5	Identification and characterization of mefloquine efficacy against JC virus in vitro.
AID410370	Cytotoxicity against human HepG2 cells by MTT assay	2008	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 18, Issue:24	Synthesis and cytotoxic activities of 1-benzylidine substituted beta-carboline derivatives.
AID435621	Percentage p38alpha MAPK activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID338148	Antimicrobial activity against Pseudomonas aeruginosa assessed per disk
AID338150	Antimicrobial activity against Trichophyton mentagrophytes assessed per disk
AID357033	Antiviral activity against HIV1 in human H9 cells assessed as inhibition of viral replication	2001	Journal of natural products, Jul, Volume: 64, Issue:7	Anti-AIDS agents. 46. Anti-HIV activity of harman, an anti-HIV principle from Symplocos setchuensis, and its derivatives.
AID95653	In vitro cytotoxic activity was determined against epidermoid carcinoma of the nasopharynx (KB) cell line	1999	Bioorganic & medicinal chemistry letters, Dec-06, Volume: 9, Issue:23	Antitumor agents 201. Cytotoxicity of harmine and beta-carboline analogs.
AID656681	Inhibition of electric eel AChE using acetylcholine iodide as substrate at 10'-4 M measured every 5 sec for 2 mins by Ellman's method	2012	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 22, Issue:8	Prospective acetylcholinesterase inhibitory activity of indole and its analogs.
AID435350	Percentage ERK2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435338	Percentage CaMK1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435854	Percentage IKK-beta activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID1529815	Antibacterial activity against Staphylococcus aureus after 18 hrs	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Design, synthesis and biological evaluations of quaternization harman analogues as potential antibacterial agents.
AID1194597	Inhibition of PTP1B (unknown origin) assessed as inhibition rate at 100 uM	2015	Bioorganic & medicinal chemistry letters, May-01, Volume: 25, Issue:9	Canthinone alkaloids are novel protein tyrosine phosphatase 1B inhibitors.
AID338149	Antimicrobial activity against Candida albicans assessed per disk
AID1226062	Mitochondrial uncoupling activity in HEK293T/17 cells at 50 uM after 30 mins by TMRE staining-based fluorescence assay	2015	ACS medicinal chemistry letters, Mar-12, Volume: 6, Issue:3	Exploiting the Polypharmacology of ß-Carbolines to Disrupt O. volvulus Molting.
AID435375	Percentage RSK1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435728	Percentage JNK3 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID436036	Percentage Lck activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID338121	Cytotoxicity against mouse P388 cells
AID625776	Antiplatelet activity in rabbit platelets assessed as inhibition of collagen-induced platelet aggregation	2011	European journal of medicinal chemistry, Nov, Volume: 46, Issue:11	A class of novel N-(1-methyl-β-carboline-3-carbonyl)-N'-(aminoacid-acyl)-hydrazines: aromatization leaded design, synthesis, in vitro anti-platelet aggregation/in vivo anti-thrombotic evaluation and 3D QSAR analysis.
AID94194	In vitro cytotoxic activity was determined against drug resistant tumor cell line KB-VIN (expressing P-glycoprotein)	1999	Bioorganic & medicinal chemistry letters, Dec-06, Volume: 9, Issue:23	Antitumor agents 201. Cytotoxicity of harmine and beta-carboline analogs.
AID1632799	Binding affinity to calf thymus duplex DNA assessed as induction of ellipticity at 350 nanometer at 25 to 200 uM in pH 7 phosphate buffer by circular dichroism method	2016	Bioorganic & medicinal chemistry letters, 10-01, Volume: 26, Issue:19	DNA-binding studies of the natural β-carboline eudistomin U.
AID524792	Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID436071	Percentage CHK2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435814	Percentage PIM3 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID343385	Inhibition of Trypanosoma cruzi recombinant trypanothione reductase at 85 uM	2008	Bioorganic & medicinal chemistry, Jul-15, Volume: 16, Issue:14	The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors.
AID524791	Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID435123	Percentage NEK7 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID977599	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID435979	Percentage MST2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID357032	Cytotoxicity against human H9 cells	2001	Journal of natural products, Jul, Volume: 64, Issue:7	Anti-AIDS agents. 46. Anti-HIV activity of harman, an anti-HIV principle from Symplocos setchuensis, and its derivatives.
AID338124	Antiviral activity against Herpes simplex virus (type 1 / strain F) ATCC VR 733 in african green monkey BSC1 cells assessed as excess radius from disk edge at 20 ug/disk
AID40509	Binding affinity towards benzodiazepine receptor inverse agonist site by the displacement of [3H]diazepam in rat cerebral cortical membranes.	1993	Journal of medicinal chemistry, Oct-01, Volume: 36, Issue:20	QSAR's from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods.
AID396084	Displacement of [3H]diazepam from benzodiazepine receptor in rat brain	2008	European journal of medicinal chemistry, Nov, Volume: 43, Issue:11	3D and quantum QSAR of non-benzodiazepine compounds.
AID435539	Percentage PHK activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID82702	In vitro cytotoxic activity was determined against embryonic lung fibroblast (HEL) cell line	1999	Bioorganic & medicinal chemistry letters, Dec-06, Volume: 9, Issue:23	Antitumor agents 201. Cytotoxicity of harmine and beta-carboline analogs.
AID338141	Cytotoxicity against african green monkey BSC1 cells at 20 ug/disk
AID55536	Percentage inhibition against cyclin dependent kinase 5 (CDK 5) at a concentration of 50 uM	2002	Bioorganic & medicinal chemistry letters, Apr-08, Volume: 12, Issue:7	Beta-carbolines as specific inhibitors of cyclin-dependent kinases.
AID300391	Effect on glucose-dependent insulin secretion activity per ug of total protein in rat RIN5F cells at 0.1 uM after 30 mins	2007	Bioorganic & medicinal chemistry, Sep-01, Volume: 15, Issue:17	Synthesis of 3,8,9-trisubstituted-1,7,9-triaza-fluorene-6-carboxylic acid derivatives as a new class of insulin secretagogues.
AID435819	Percentage PKBbeta activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435718	Percentage EF2K activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435300	Percentage PAK6 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID524794	Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID435256	Percentage p38-gamma MAPK activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID436072	Percentage CK1delta activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID436083	Percentage ERK8 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID338151	Antimicrobial activity against Cladosporium resinae assessed per disk
AID40988	Inhibition on Benzodiazepine receptor	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 2. Applications.
AID1882176	Antifungal activity against Candida albicans incubated for 72 hrs	2022	European journal of medicinal chemistry, Feb-05, Volume: 229	Natural and synthetic β-carboline as a privileged antifungal scaﬀolds.
AID300394	Displacement of [3H]clonidine from I1-imidazoline binding site in bovine adrenal medulla plasma membrane	2007	Bioorganic & medicinal chemistry, Sep-01, Volume: 15, Issue:17	Synthesis of 3,8,9-trisubstituted-1,7,9-triaza-fluorene-6-carboxylic acid derivatives as a new class of insulin secretagogues.
AID656684	Inhibition of human AChE by Ellman's method	2012	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 22, Issue:8	Prospective acetylcholinesterase inhibitory activity of indole and its analogs.
AID435713	Percentage CHK1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435339	Percentage CaMKKbeta activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435374	Percentage PLK1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID300392	Effect on glucose-dependent insulin secretion activity per ug of total protein in rat RIN5F cells at 1 uM after 30 mins	2007	Bioorganic & medicinal chemistry, Sep-01, Volume: 15, Issue:17	Synthesis of 3,8,9-trisubstituted-1,7,9-triaza-fluorene-6-carboxylic acid derivatives as a new class of insulin secretagogues.
AID524795	Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID435995	Percentage SRPK1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435747	Percentage PRAK activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435228	Percentage ERK1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID40666	In vitro inhibition of [3H]diazepam binding to benzodiazepine receptor in rat cerebral cortical membrane	1982	Journal of medicinal chemistry, Sep, Volume: 25, Issue:9	Beta-carbolines: synthesis and neurochemical and pharmacological actions on brain benzodiazepine receptors.
AID435418	Percentage PAK5 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID94188	In vitro cytotoxic activity was determined against drug resistant tumor cell line KB-CPT (pleotrophic mechanism including level of topoisomerase I)	1999	Bioorganic & medicinal chemistry letters, Dec-06, Volume: 9, Issue:23	Antitumor agents 201. Cytotoxicity of harmine and beta-carboline analogs.
AID435541	Percentage PKA activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435756	Percentage Src activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID201791	In vitro cytotoxic activity was determined against melanoma cancer (SK-MEL-2) cell line	1999	Bioorganic & medicinal chemistry letters, Dec-06, Volume: 9, Issue:23	Antitumor agents 201. Cytotoxicity of harmine and beta-carboline analogs.
AID435820	Percentage PKCalpha activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID1181720	Antimicrobial activity against promastigote stage of Leishmania donovani after 72 hrs by Alamar Blue assay	2014	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 24, Issue:15	Synthesis, antileishmanial and antitrypanosomal activities of N-substituted tetrahydro-β-carbolines.
AID435842	Percentage Aurora C activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435613	Percentage MNK1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID423206	Antimicrobial activity against Trichophyton mentagrophytes measured per disk	2009	Journal of natural products, Apr, Volume: 72, Issue:4	5-Bromo-8-methoxy-1-methyl-beta-carboline, an alkaloid from the New Zealand marine bryozoan Pterocella vesiculosa.
AID435363	Percentage MELK activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435987	Percentage PRK2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435881	Percentage ROCK2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID558036	Therapeutic index, ratio of TC50 for JC polyomavirus M1/SVEdelta infected human SVG-A cells to EC50 for JC polyomavirus M1/SVEdelta	2009	Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5	Identification and characterization of mefloquine efficacy against JC virus in vitro.
AID300393	Effect on glucose-dependent insulin secretion activity per ug of total protein in rat RIN5F cells at 10 uM after 30 mins	2007	Bioorganic & medicinal chemistry, Sep-01, Volume: 15, Issue:17	Synthesis of 3,8,9-trisubstituted-1,7,9-triaza-fluorene-6-carboxylic acid derivatives as a new class of insulin secretagogues.
AID435225	Percentage DYRK3 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID213899	In vitro cytotoxic activity against U-87-MG (glioblastoma) cell line.	1999	Bioorganic & medicinal chemistry letters, Dec-06, Volume: 9, Issue:23	Antitumor agents 201. Cytotoxicity of harmine and beta-carboline analogs.
AID410368	Cytotoxicity against human Bel7402 cells by MTT assay	2008	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 18, Issue:24	Synthesis and cytotoxic activities of 1-benzylidine substituted beta-carboline derivatives.
AID435370	Percentage p38beta MAPK activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID1226063	Antionchocerciasis activity against L3 larval stage of Onchocerca volvulus assessed as inhibition of parasite molting at 10 uM treated for 24 hrs prior to complete medium and PBMC addition measured after 6 days by inverted microscopic analysis	2015	ACS medicinal chemistry letters, Mar-12, Volume: 6, Issue:3	Exploiting the Polypharmacology of ß-Carbolines to Disrupt O. volvulus Molting.
AID1886373	Inhibition of TDO (unknown origin) assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 75 mins by UV absorbance based analysis	2022	Journal of medicinal chemistry, 08-25, Volume: 65, Issue:16	Discovery of 1-(Hetero)aryl-β-carboline Derivatives as IDO1/TDO Dual Inhibitors with Antidepressant Activity.
AID435704	Percentage Aurora B activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID1886372	Inhibition of TDO (unknown origin) assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate at 50 uM incubated for 75 mins by UV absorbance based analysis relative to control	2022	Journal of medicinal chemistry, 08-25, Volume: 65, Issue:16	Discovery of 1-(Hetero)aryl-β-carboline Derivatives as IDO1/TDO Dual Inhibitors with Antidepressant Activity.
AID1632787	Binding affinity to calf thymus duplex DNA assessed as change in melting temperature at 50 uM in pH 7 phosphate buffer by UV-vis spectrophotometric analysis	2016	Bioorganic & medicinal chemistry letters, 10-01, Volume: 26, Issue:19	DNA-binding studies of the natural β-carboline eudistomin U.
AID94013	In vitro cytotoxic activity was determined against drug resistant tumor cell line KB-7d (pleotrophic resistance including MRP multidrug resistant protein)	1999	Bioorganic & medicinal chemistry letters, Dec-06, Volume: 9, Issue:23	Antitumor agents 201. Cytotoxicity of harmine and beta-carboline analogs.
AID1478471	Antiproliferative activity against human SGC7901 cells by MTT assay	2017	Journal of natural products, 02-24, Volume: 80, Issue:2	Structurally Diverse Alkaloids from the Seeds of Peganum harmala.
AID435233	Percentage HIPK3 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435962	Percentage CDK2-cyclinA activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435260	Percentage RSK2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435731	Percentage MNK2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID42569	In vitro cytotoxic activity was determined against renal cancer (CAKI-1) cell line	1999	Bioorganic & medicinal chemistry letters, Dec-06, Volume: 9, Issue:23	Antitumor agents 201. Cytotoxicity of harmine and beta-carboline analogs.
AID524796	Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID435738	Percentage p38delta MAPK activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID348954	Displacement of [3H]diazepam from GABAA/BzR in rat brain membrane	2008	European journal of medicinal chemistry, Jul, Volume: 43, Issue:7	Quantitative structure-activity relationship studies of a series of non-benzodiazepine structural ligands binding to benzodiazepine receptor.
AID435176	Percentage PIM2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435454	Percentage CaMKKalpha activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID55535	Percentage inhibition against cyclin dependent kinase 2 (CDK 2) at a concentration of 50 uM	2002	Bioorganic & medicinal chemistry letters, Apr-08, Volume: 12, Issue:7	Beta-carbolines as specific inhibitors of cyclin-dependent kinases.
AID2964	In vitro cytotoxic activity was determined against ovarian cancer (1A9) cell line	1999	Bioorganic & medicinal chemistry letters, Dec-06, Volume: 9, Issue:23	Antitumor agents 201. Cytotoxicity of harmine and beta-carboline analogs.
AID435493	Percentage PKD1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID338132	Antiviral activity against Polio virus 1 Pfizer vaccine in african green monkey BSC1 cells assessed as excess radius from disk edge at 20 ug/disk
AID1181716	Antimicrobial activity against amastigote stage of Leishmania infantum	2014	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 24, Issue:15	Synthesis, antileishmanial and antitrypanosomal activities of N-substituted tetrahydro-β-carbolines.
AID977602	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID423204	Antimicrobial activity against Bacillus subtilis measured per disk	2009	Journal of natural products, Apr, Volume: 72, Issue:4	5-Bromo-8-methoxy-1-methyl-beta-carboline, an alkaloid from the New Zealand marine bryozoan Pterocella vesiculosa.
AID435501	Percentage SmMLCK activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435427	Percentage PKBalpha activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID436086	Percentage HIPK2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID1632781	Binding affinity to calf thymus duplex DNA assessed as induction of hyperchromic shift at 257 nanometer at 50 uM in pH 7 phosphate buffer by UV-vis spectrophotometric analysis	2016	Bioorganic & medicinal chemistry letters, 10-01, Volume: 26, Issue:19	DNA-binding studies of the natural β-carboline eudistomin U.
AID40085	Binding affinity for rat benzodiazepine receptor inverse agonist site	1996	Journal of medicinal chemistry, May-24, Volume: 39, Issue:11	Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition.
AID453268	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6	2009	Bioorganic & medicinal chemistry, Oct-15, Volume: 17, Issue:20	Structure-activity relationship of antiparasitic and cytotoxic indoloquinoline alkaloids, and their tricyclic and bicyclic analogues.
AID435378	Percentage S6K1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID558037	Cytotoxicity against human SVG-A cells	2009	Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5	Identification and characterization of mefloquine efficacy against JC virus in vitro.
AID1226058	Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as release of 4-methylumbelliferone measured for 10 mins by fluorescence assay	2015	ACS medicinal chemistry letters, Mar-12, Volume: 6, Issue:3	Exploiting the Polypharmacology of ß-Carbolines to Disrupt O. volvulus Molting.
AID1478470	Antiproliferative activity against human PC3 cells by MTT assay	2017	Journal of natural products, 02-24, Volume: 80, Issue:2	Structurally Diverse Alkaloids from the Seeds of Peganum harmala.
AID435223	Percentage CSK activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435461	Percentage CK2 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435215	Percentage AMPK activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID338146	Antimicrobial activity against Escherichia coli assessed per disk
AID1181721	Antimicrobial activity against axenic amastigote stage of Leishmania donovani after 72 hrs by Alamar Blue assay	2014	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 24, Issue:15	Synthesis, antileishmanial and antitrypanosomal activities of N-substituted tetrahydro-β-carbolines.
AID435723	Percentage GSK3-beta activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID1632804	Binding affinity to calf thymus duplex DNA assessed as melting temperature at 0.5 mM by differential scanning calorimetry (Rvb = 51 degC)	2016	Bioorganic & medicinal chemistry letters, 10-01, Volume: 26, Issue:19	DNA-binding studies of the natural β-carboline eudistomin U.
AID453269	Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2	2009	Bioorganic & medicinal chemistry, Oct-15, Volume: 17, Issue:20	Structure-activity relationship of antiparasitic and cytotoxic indoloquinoline alkaloids, and their tricyclic and bicyclic analogues.
AID1226064	Antionchocerciasis activity against L3 larval stage of Onchocerca volvulus assessed as prevention of L3 cuticle shedding at 100 uM treated for 24 hrs prior to complete medium and PBMC addition measured after 6 days by inverted microscopic analysis	2015	ACS medicinal chemistry letters, Mar-12, Volume: 6, Issue:3	Exploiting the Polypharmacology of ß-Carbolines to Disrupt O. volvulus Molting.
AID436076	Percentage DYRK1A activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435317	Percentage PIM1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435883	Percentage SGK1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435238	Percentage JNK1 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID436037	Percentage MAPKAPK3 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID435315	Percentage MARK3 activity remaining in the presence of 1uM inhibitor	2007	The Biochemical journal, Dec-15, Volume: 408, Issue:3	The selectivity of protein kinase inhibitors: a further update.
AID453270	Cytotoxicity in human THP1 cells	2009	Bioorganic & medicinal chemistry, Oct-15, Volume: 17, Issue:20	Structure-activity relationship of antiparasitic and cytotoxic indoloquinoline alkaloids, and their tricyclic and bicyclic analogues.
AID1713264	Antileishmanial activity against late log phase promastigote stage of Leishmania infantum MHOM/FR/78/LEM75 assessed as inhibition of parasite growth incubated for 48 hrs by hemocytometer counting method	2016	European journal of medicinal chemistry, Nov-10, Volume: 123	Synthesis and anti-leishmanial evaluation of 1-phenyl-2,3,4,9-tetrahydro-1H-β-carboline derivatives against Leishmania infantum.
AID125789	Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)	1993	Journal of medicinal chemistry, Apr-30, Volume: 36, Issue:9	Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. 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.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. 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.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. 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.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504836	Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation	2002	The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16	Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID588349	qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
AID1347151	Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings 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.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347057	CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347050	Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347059	CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347410	qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library	2019	Cellular signalling, 08, Volume: 60	A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID1347045	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID588378	qHTS for Inhibitors of ATXN expression: Validation
AID1347049	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347058	CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347405	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection	2020	ACS 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.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal 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.
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature 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]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	50 (16.95)	18.7374
1990's	47 (15.93)	18.2507
2000's	90 (30.51)	29.6817
2010's	85 (28.81)	24.3611
2020's	23 (7.80)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	3 (0.96%)	5.53%
Reviews	16 (5.13%)	6.00%
Case Studies	1 (0.32%)	4.05%
Observational	0 (0.00%)	0.25%
Other	292 (93.59%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
gamma-aminobutyric acid gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.	3.48	8	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
4-hydroxybenzoic acid 4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.	2.39	2	0	monohydroxybenzoic acid	algal metabolite; plant metabolite
acetaldehyde Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats.	5.57	5	1	aldehyde	carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent
acetamide acetimidic acid : A carboximidic acid that is acetic acid in which the carbonyl oxygen is replaced by an imino group.	2.03	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
agmatine Agmatine: Decarboxylated arginine, isolated from several plant and animal sources, e.g., pollen, ergot, herring sperm, octopus muscle.	2.72	3	0	guanidines; primary amino compound	Escherichia coli metabolite; mouse metabolite
quinacrine Quinacrine: An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2.. quinacrine : A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9.	2.03	1	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
benzene [no description available]	2	1	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
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.	2.39	2	0	benzoic acids	algal 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
carbon monoxide Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas.	3.51	1	1	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
formic acid formic acid: RN given refers to parent cpd. formic acid : The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects.	2.02	1	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
catechol [no description available]	2.44	2	0	catechols	allelochemical; genotoxin; plant metabolite
choline [no description available]	1.99	1	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
3-chlorobenzoic acid [no description available]	2.39	2	0	monochlorobenzoic acid	drug metabolite
taxifolin [no description available]	2.44	2	0	3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone
phosphonoacetic acid Phosphonoacetic Acid: A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent.. phosphonoacetic acid : A member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group.	2.44	2	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid 3,4-Dihydroxyphenylacetic Acid: A deaminated metabolite of LEVODOPA.. (3,4-dihydroxyphenyl)acetic acid : A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine.. dihydroxyphenylacetic acid : A dihydroxy monocarboxylic acid consisting of phenylacetic acid having two phenolic hydroxy substituents.	2.44	2	0	catechols; dihydroxyphenylacetic acid	human 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.	2.03	1	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
dibenzofuran Dibenzofurans: Compounds that include the structure of dibenzofuran.. dibenzofurans : Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof.. dibenzofuran : A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions.	1.99	1	0	dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene	xenobiotic
creatine [no description available]	2.03	1	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
diacetyl butane-2,3-dione : An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.	2.03	1	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
glycine [no description available]	1.96	1	0	alpha-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
glyceraldehyde Glyceraldehyde: An aldotriose containing the propionaldehyde structure with hydroxy groups at the 2- and 3-positions. It is involved in the formation of ADVANCED GLYCOSYLATION END PRODUCTS.. glyceraldehyde : An aldotriose comprising propanal having hydroxy groups at the 2- and 3-positions. It plays role in the formation of advanced glycation end-products (AGEs), a deleterious accompaniment to ageing.. aldose : Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals.	2.21	1	0	aldotriose	fundamental metabolite
histamine [no description available]	2	1	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
hydroquinone [no description available]	2.44	2	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
hydroxylamine amino alcohol : An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group.	2.1	1	0	hydroxylamines	algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent
imidazole imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.	2.39	2	0	imidazole
pyruvaldehyde Pyruvaldehyde: An organic compound used often as a reagent in organic synthesis, as a flavoring agent, and in tanning. It has been demonstrated as an intermediate in the metabolism of acetone and its derivatives in isolated cell preparations, in various culture media, and in vivo in certain animals.. methylglyoxal : A 2-oxo aldehyde derived from propanal.	2.25	1	0	2-oxo aldehyde; propanals	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
melatonin [no description available]	2.03	1	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
n-acetylserotonin N-acetylserotonin : An N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid.	2.03	1	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
niacinamide nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.	3.06	1	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.	3.06	1	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)	3.48	2	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
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.	2.39	2	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
phosphoric acid phosphoric acid: concise etchant is 37% H3PO4. phosphoric acid : A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom.	2.07	1	0	phosphoric acids	algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent
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.	2.03	1	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
quinolinic acid Quinolinic Acid: A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS.. pyridinedicarboxylic acid : Any member of the class of pyridines carrying two carboxy groups.. quinolinic acid : A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan.	2.03	1	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
taurine [no description available]	2.03	1	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.	1.99	1	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
tryptamine [no description available]	2.38	2	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant 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).	2.06	1	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
2-amino-5-phosphonovalerate 2-Amino-5-phosphonovalerate: The D-enantiomer is a potent and specific antagonist of NMDA glutamate receptors (RECEPTORS, N-METHYL-D-ASPARTATE). The L form is inactive at NMDA receptors but may affect the AP4 (2-amino-4-phosphonobutyrate; APB) excitatory amino acid receptors.	2.03	1	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
alpha-methyl-4-carboxyphenylglycine [no description available]	2.03	1	0
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid 3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid: structure given in first source; NMDA receptor antagonist	2.03	1	0
1-hydroxy-3-amino-2-pyrrolidone 1-hydroxy-3-amino-2-pyrrolidone: a CNS depressant; structure in first source	2.03	1	0
ibotenic acid Ibotenic Acid: A neurotoxic isoxazole (similar to KAINIC ACID and MUSCIMOL) found in AMANITA mushrooms. It causes motor depression, ataxia, and changes in mood, perceptions and feelings, and is a potent excitatory amino acid agonist.	2.03	1	0	non-proteinogenic alpha-amino acid	neurotoxin
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane N(8)-bromoacetyl-N(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane: structure given in first source	2.03	1	0
sk&f-38393 2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine: A selective D1 dopamine receptor agonist used primarily as a research tool.. 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1 and two hydroxy substituents at positions 7 and 8.. SKF 38393 : A racemate comprising equimolar amounts of (R)- and (S)-SKF 38393	2.44	2	0	benzazepine; catechols; secondary amino compound
vanilmandelic acid Vanilmandelic Acid: A 3-O-methyl ether of 3,4-dihydroxymandelic acid. It is an end-stage metabolite of CATECHOLAMINES; EPINEPHRINE; and NOREPINEPHRINE.. vanillylmandelic acid : An aromatic ether that is the 3-O-methyl ether of 3,4-dihydroxymandelic acid.	2.03	1	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
1,10-diaminodecane [no description available]	2.44	2	0
1,3-diethyl-8-phenylxanthine 1,3-diethyl-8-phenylxanthine: structure given in first source	2.03	1	0
1,3-dipropyl-8-cyclopentylxanthine DPCPX : An oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group.	2.44	2	0	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
1,3-dipropyl-8-(4-sulfophenyl)xanthine 1,3-dipropyl-8-(4-sulfophenyl)xanthine: adenosine receptor antagonist	2.03	1	0
bw 284 c 51 [no description available]	1.99	1	0
1,5-dihydroxyisoquinoline 1,5-dihydroxyisoquinoline: structure in first source. isoquinoline-1,5-diol : An isoquinolinol that is isoquinoline in which the hydrogens at positions 1 and 5 are replaced by hydroxy groups.	2.03	1	0	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pk 11195 PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine	2.44	2	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
1-(2-trifluoromethylphenyl)imidazole 1-(2-trifluoromethylphenyl)imidazole: an inhibitor of neuronal nitric oxide synthase in mouse	2.03	1	0	imidazoles
1-aminobenzotriazole [no description available]	2.44	2	0
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine: A dopaminergic neurotoxic compound which produces irreversible clinical, chemical, and pathological alterations that mimic those found in Parkinson disease.. 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine : A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4.	2.68	3	0	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
1-methylimidazole 1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position.	2.69	3	0	imidazoles
edelfosine edelfosine: RN given refers to parent cpd. edelfosine : A racemate comprising equimolar amounts of (R)- and (S)-edelfosine.. 1-octadecyl-2-methylglycero-3-phosphocholine : A glycerophosphocholine that is glycero-3-phosphocholine substituted at positions 1 and 2 by octadecyl and methyl groups respectively.	2.03	1	0	glycerophosphocholine
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one: structure given in first source; inhibits guanylyl cyclase. 1H-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one : A member of the class of oxadiazoloquinoxalines that is 1H-[1,2,4]oxadiazolo[4,3-a]quinoxaline substituted at position 1 by an oxo group.	2.44	2	0	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor
2,2'-dipyridyl 2,2'-Dipyridyl: A reagent used for the determination of iron.. 2,2'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'.	2.44	2	0	bipyridine	chelator; ferroptosis inhibitor
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine 2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine: mutagen from fried ground beef; structure given in first source. PhIP : An imidazopyridine that is 1H--imidazo[4,5-b]pyridine which is substituted at positions 1, 2, and 6 by methyl, amino, and phenyl groups, respectively. It is the most abundant of the mutagenic heterocyclic amines found in cooked meat and fish.	3.57	8	0	imidazopyridine; primary amino compound	carcinogenic agent; mutagen
2-hydroxysaclofen 2-hydroxysaclofen: structure given in first source	2.03	1	0	organochlorine compound
3,4-dichloroisocoumarin 3,4-dichloroisocoumarin : A member of the class of isocoumarins that is isocoumarin substituted by chloro groups at positions 3 and 4. It is a serine protease inhibitor.	2.44	2	0	isocoumarins; organochlorine compound	geroprotector; serine protease inhibitor
amitrole Amitrole: A non-selective post-emergence, translocated herbicide. According to the Seventh Annual Report on Carcinogens (PB95-109781, 1994) this substance may reasonably be anticipated to be a carcinogen. (From Merck Index, 12th ed) It is an irreversible inhibitor of CATALASE, and thus impairs activity of peroxisomes.. amitrole : A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an amino group at position 3. Used to control annual grasses and aquatic weeds (but not on food crops because it causes cancer in laboratory animals). Its use within the EU was banned from September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties.	7.02	1	0	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
phaclofen phaclofen: peripheral & central baclofen & GABA antagonist; structure given in first source	2.03	1	0	organophosphate oxoanion; zwitterion
3-aminobenzamide [no description available]	2.03	1	0	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3-bromo-7-nitroindazole [no description available]	2.03	1	0
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.	7.38	2	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
enprofylline enprofylline : Xanthine bearing a propyl substituent at position 3. A bronchodilator, it is used for the symptomatic treatment of asthma and chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy.	2.03	1	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
3-nitropropionic acid 3-nitropropionic acid: succinate dehydrogenase inactivator; biosynthesized by FABACEAE plants from ASPARAGINE. 3-nitropropanoic acid : A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.	2.03	1	0	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
cgp 52411 4,5-dianilinophthalimide: structure given in first source. 4,5-dianilinophthalimide : Phthalimide substituted at the 4- and 5-positions by anilino groups.	2.05	1	0	phthalimides	geroprotector; tyrosine kinase inhibitor
4-amino-1,8-naphthalimide 4-amino-1,8-naphthalimide: inhibits ADP-ribosylation; sometimes abreviated as 4-AN;	2.44	2	0	benzoisoquinoline; dicarboximide
4-aminopyridine [no description available]	2.03	1	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
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.	2.44	2	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
4-hydroxybenzoic acid hydrazide 4-hydroxybenzoic acid hydrazide: metabolite of nifuroxazide. 4-hydroxybenzohydrazide : A carbohydrazide obtained by formal condensation of the carboxy group of 4-hydroxybenzoic acid with hydrazine.	2.03	1	0	carbohydrazide; phenols
4-phenyl-3-furoxancarbonitrile 4-phenyl-3-furoxancarbonitrile: structure given in first source. 4-phenyl-3-furoxancarbonitrile : A 1,2,5-oxadiazole substituted by an oxido, cyano and phenyl groups at positions 2, 3 and 4, respectively. It is a vasodilator and inhibitor of platelet aggregation.	2.44	2	0	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
5,5-dimethyl-1-pyrroline-1-oxide 5,5-dimethyl-1-pyrroline-1-oxide: do not confuse with DMPO (4',5'-dihydroxy-7-methoxy-4-phenyl-5,2'-oxidocoumarin). 5,5-dimethyl-1-pyrroline N-oxide : A member of the class of 1-pyrroline nitrones (1-pyrroline N-oxides) resulting from the formal N-oxidation of 5,5-dimethyl-1-pyrroline. Used as a spin trap for the study of radicals formed by enzymatic acetaldehyde oxidation.	2.03	1	0	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
phenytoin [no description available]	2.03	1	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
5,7-dichlorokynurenic acid 5,7-dichlorokynurenic acid: potent antagonist at the N-methyl-D-aspartate receptor-associated glycine binding site	2.03	1	0	quinolines
5-(n,n-hexamethylene)amiloride 5-(N,N-hexamethylene)amiloride: inhibitor of Na+-H+ exchange; has anti-HIV-1 activity. 5-(N,N-hexamethylene)amiloride : A member of the class of pyrazines that is amiloride in which the two amino hydrogens at position N-5 are replaced by a hexamethylene moiety, resulting in the formation of an azepane ring.	2.44	2	0	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
ethylisopropylamiloride ethylisopropylamiloride: structure in first source. ethylisopropylamiloride : A member of the class of pyrazines that is amiloride in which the amino substitutent of the pyrazine ring that is adjacent to the chloro substituent has been substituted by an ethyl group and by an isopropyl group.	2.44	2	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
5-fluoroindole-2-carboxylic acid 5-fluoroindole-2-carboxylic acid: N-methyl-D-aspartate receptor antagonist	2.44	2	0	indolyl carboxylic acid
hydroxyindoleacetic acid (5-hydroxyindol-3-yl)acetic acid : A member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5.	2.41	2	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
5-methoxytryptamine 5-Methoxytryptamine: Serotonin derivative proposed as potentiator for hypnotics and sedatives.. 5-methoxytryptamine : A member of the class of tryptamines that is the methyl ether derivative of serotonin.	2.07	1	0	aromatic ether; primary amino compound; tryptamines	5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist
phenanthridone phenanthridone: coal tar derivative; structure given in first source. phenanthridone : A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity.	2.44	2	0	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen
6-chloromelatonin [no description available]	2.03	1	0	acetamides
6-hydroxymelatonin 6-hydroxymelatonin : A member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6.	2.03	1	0	acetamides; tryptamines	metabolite; mouse metabolite
6-methoxytryptoline 6-methoxytryptoline: RN given refers to parent cpd; structure	2.73	3	0
6-nitroso-1,2-benzopyrone [no description available]	2.44	2	0
7-chlorokynurenic acid 7-chlorokynurenic acid: selective antagonist at the glycine modulatory site of the N-methyl-D-aspartate receptor complex; structure given in first source. 7-chlorokynurenic acid : A quinolinemonocarboxylic acid that is quinaldic acid which is substituted by a hydroxy group at position 4 and by a chlorine at position 7. It is a potent NMDA glutamate receptor antagonist which antagonizes the strychnine-insensitive glycine site of the NMDA receptor. It also prevents neurodegeneration produced by quinolinic acid.	2.03	1	0	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist
7-nitroindazole 7-nitroindazole: an inhibitor of nitric oxide synthase; exhibits anti-nociceptive activity without increasing blood pressure	2.03	1	0
8-(4-sulfophenyl)theophylline 8-(4-sulfophenyl)theophylline: adenosine antagonist	2.44	2	0
8-cyclopentyl-1,3-dimethylxanthine 8-cyclopentyl-1,3-dimethylxanthine: prolongs epileptic seizures in rats	2.03	1	0	oxopurine
8-phenyltheophylline 8-phenyltheophylline: purinergic P1 receptor antagonist	2.03	1	0
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.	1.99	1	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
aa 861 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone: structure given in first source. docebenone : A member of the class of benzoquinones that is p-benzoquinone in which the hydrogens are substituted by three methyl groups and a 12-hydroxydodeca-5,10-diyn-1-yl group.	2.05	1	0	1,4-benzoquinones; acetylenic compound; primary alcohol	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor
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)	2.03	1	0	monocarboxylic 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.	2.03	1	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
ag 127 tyrphostin AG 126: inhibits development of postoperative ileus induced by surgical manipulation of murine colon	2.44	2	0	nitrophenol
rtki cpd [no description available]	2.44	2	0	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
tyrphostin a23 tyrphostin A23: inhibits EGF-stimulated thymidine incorporation as well as EGF-stimulated receptor autophosphorylation & tyrosine phosphorylation & cell proliferation; structure given in first source	2.44	2	0	catechols
tyrphostin 25 [no description available]	2.44	2	0	benzenetriol
tyrphostin a1 [no description available]	2.03	1	0	methoxybenzenes	geroprotector
1-aminoindan-1,5-dicarboxylic acid 1-aminoindan-1,5-dicarboxylic acid: structure given in first source	2.03	1	0
albuterol Albuterol: A short-acting beta-2 adrenergic agonist that is primarily used as a bronchodilator agent to treat ASTHMA. Albuterol is prepared as a racemic mixture of R(-) and S(+) stereoisomers. The stereospecific preparation of R(-) isomer of albuterol is referred to as levalbuterol.. albuterol : A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).	2.03	1	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alpha-cyano-4-hydroxycinnamate alpha-cyano-4-hydroxycinnamate: specific inhibitor of pyruvate transport in rat liver mitochondria & human erythrocytes; structure	2.05	1	0
alpha-methyltyrosine methyl ester alpha-methyltyrosine methyl ester: RN given refers to parent cpd	2.03	1	0
altretamine Altretamine: A hexamethyl-2,4,6-triamine derivative of 1,3,5-triazine.	2.03	1	0	triamino-1,3,5-triazine
amfonelic acid amfonelic acid: CNS-stimulant	2.03	1	0
amifostine anhydrous Amifostine: A phosphorothioate proposed as a radiation-protective agent. It causes splenic vasodilation and may block autonomic ganglia.. amifostine : An organic thiophosphate that is the S-phospho derivative of 2-[(3-aminopropyl)amino]ethanethiol. A prodrug for the free thiol, WR-1065, which is used as a cytoprotectant in cancer chemotherapy and radiotherapy.	2.03	1	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
theophylline [no description available]	2.03	1	0	dimethylxanthine	adenosine 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
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.	2.44	2	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
aniracetam [no description available]	2.03	1	0	N-acylpyrrolidine; pyrrolidin-2-ones
2-amino-4-phosphonobutyric acid 2-amino-4-phosphonobutyric acid: glutamate antagonist in locust muscle; structure; do not confuse with L-AP4, which is the propionic acid version	2.03	1	0
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.	2.74	3	0	benzoic 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
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.	2.43	2	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate: a glutamate agonist	2.03	1	0	alpha-amino acid
aurintricarboxylic acid Aurintricarboxylic Acid: A dye which inhibits protein biosynthesis at the initial stages. The ammonium salt (aluminon) is a reagent for the colorimetric estimation of aluminum in water, foods, and tissues.. aurintricarboxylic acid : A member of the class of quinomethanes that is 3-methylidene-6-oxocyclohexa-1,4-diene-1-carboxylic acid in which the methylidene hydrogens are replaced by 4-carboxy-3-hydroxyphenyl groups. The trisodium salt is the biological stain 'chrome violet CG' while the triammonium salt is 'aluminon'.	2.44	2	0	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
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.	2.44	2	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelaic acid nonanedioic acid : An alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups.	2.03	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
baclofen [no description available]	2.03	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bay-k-8644 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-, Methyl ester: A dihydropyridine derivative, which, in contrast to NIFEDIPINE, functions as a calcium channel agonist. The compound facilitates Ca2+ influx through partially activated voltage-dependent Ca2+ channels, thereby causing vasoconstrictor and positive inotropic effects. It is used primarily as a research tool.. Bay-K-8644 : A racemate comprising equimolar amounts of (R)- and (S)-Bay-K-8644. methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate : A pentasubstituted dihydropyridine carrying methoxycarbonyl, 2-(trifluoromethyl)phenyl and nitro substituents at positions 3, 4 and 5 respectively as well as two methyl substituents at positions 2 and 6.	2.44	2	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
benzamide benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides.	2.03	1	0	benzamides
benzo(a)pyrene Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.	1.97	1	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
bepridil Bepridil: A long-acting calcium-blocking agent with significant anti-anginal activity. The drug produces significant coronary vasodilation and modest peripheral effects. It has antihypertensive and selective anti-arrhythmia activities and acts as a calmodulin antagonist.. bepridil : A tertiary amine in which the substituents on nitrogen are benzyl, phenyl and 3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl.	2.03	1	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bml 190 indomethacin morpholinylamide: an inverse agonist of the cannabinoid CB2 receptor	2.44	2	0	N-acylindole
brimonidine [no description available]	2.44	2	0	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
bu 224 BU 224: a selective imidazoline 2-receptor blocker	2.45	2	0	quinolines
bumetanide [no description available]	2.03	1	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
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.	2.31	1	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
caffeine [no description available]	2.69	3	0	purine 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
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.	2.03	1	0	dibenzoazepine; 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
carbetapentane carbetapentane: RN given refers to parent cpd	2.03	1	0	benzenes
carisoprodol Carisoprodol: A centrally acting skeletal muscle relaxant whose mechanism of action is not completely understood but may be related to its sedative actions. 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, p1202). carisoprodol : A carbamate ester that is the mono-N-isopropyl derivative of meprobamate (which is a significant metabolite). Carisoprodol interrupts neuronal communication within the reticular formation and spinal cord, resulting in sedation and alteration in pain perception. It is used as a muscle relaxant in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm.	2.03	1	0	carbamate ester	muscle relaxant
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.	2.03	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carbonyl cyanide m-chlorophenyl hydrazone Carbonyl Cyanide m-Chlorophenyl Hydrazone: A proton ionophore. It is commonly used as an uncoupling agent and inhibitor of photosynthesis because of its effects on mitochondrial and chloroplast membranes.. CCCP : A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death.	2.11	1	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
cgs 12066 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline : A pyrroloquinoxaline that is pyrrolo[1,2-a]quinoxaline bearing additional 4-methylpiperazin-1-yl and trifluoromethyl substituents at positions 4 and 7 respectively. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration.	2.03	1	0	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist
cgs 15943 9-chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imine: non-xanthine triazoloquinazoline adenosine antagonist. CGS 15943 : A member of the class of triazoloquinazolines that is [1,2,4]triazolo[1,5-c]quinazoline substited at positions 2, 5 and 9 by furan-2-yl, amino and chloro groups respectively. A potent antagonist at adenosine A1 and adenosine A2A receptors.	2.44	2	0	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant
chlorambucil Chlorambucil: A nitrogen mustard alkylating agent used as antineoplastic for chronic lymphocytic leukemia, Hodgkin's disease, and others. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed). chlorambucil : A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia.	2.44	2	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlordiazepoxide Chlordiazepoxide: An anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal.. chlordiazepoxide : A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2.	2.9	4	0	benzodiazepine
chlormezanone Chlormezanone: A non-benzodiazepine that is used in the management of anxiety. It has been suggested for use in the treatment of muscle spasm.. chlormezanone : A 1,3-thiazine that is 1,3-thiazinan-4-one S,S-dioxide in which a hydrogen at position 2 is substituted by a 4-chlorophenyl group and the hydrogen attached to the nitrogen is substituted by methyl. A non-benzodiazepine muscle relaxant, it was used in the management of anxiety and in the treatment of muscle spasms until being discontinued worldwide by its manufacturer in 1996, due to rare but serious cutaneous reactions.	2.03	1	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
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.	2.72	3	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorothiazide Chlorothiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p812). thiazide : Heterocyclic compound with sulfur and nitrogen in the ring.. chlorothiazide : 4H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position is substituted by chlorine and that at position 7 is substituted by a sulfonamide group. A diuretic, it is used for treatment of oedema and hypertension.	2.03	1	0	benzothiadiazine	antihypertensive agent; diuretic
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.	2.41	2	0	organochlorine 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.	2.03	1	0	monochlorobenzenes; 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.	2.03	1	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cilostamide cilostamide: selective inhibitor of cyclic AMP phosphodiesterase & platelet aggregation; structure	2.44	2	0	quinolines
cilostazol [no description available]	2.44	2	0	lactam; 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.	2.44	2	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
aricine [no description available]	2.04	1	0	cinchona alkaloid
cinoxacin Cinoxacin: Synthetic antimicrobial related to OXOLINIC ACID and NALIDIXIC ACID and used in URINARY TRACT INFECTIONS.. cinoxacin : A member of the class of cinnolines that is 6,7-methylenedioxycinnolin-4(1H)-one bearing an ethyl group at position 1 and a carboxylic acid group at position 3. An analogue of oxolinic acid, it has similar antibacterial actions. It was formerly used for the treatment of urinary tract infections.	2.44	2	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate [no description available]	2.03	1	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
cirazoline cirazoline: posseses agonist properties at alpha-adrenoreceptor sites; RN given refers to parent cpd	2.01	1	0	aromatic ether
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.	2.02	1	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clofibrate angiokapsul: contains clofibrate & insoitolnicotinate	2.03	1	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
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.	2.04	1	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
clonidine Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.. clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group.	9.2	5	0	clonidine; imidazoline
clotrimazole [no description available]	2.44	2	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cx546 1-(1,4-benzodioxan-6-ylcarbonyl)piperidine: structure in first source	2.03	1	0
cyclothiazide cyclothiazide: inhibits the desensitization of AMPA-type receptors; structure. cyclothiazide : 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted at positions 3, 5 and 6 by a 2-norbornen-5-yl group, chlorine, and a sulfonamide group, respectively. A thiazide diuretic, it has been used in the management of hypertension and oedema.	2.03	1	0	benzothiadiazine	antihypertensive agent; diuretic
dephostatin dephostatin: from Streptomyces sp. MJ742-NF5; structure given in first source	2.03	1	0
nonivamide nonivamide: has effect on sensory neurons. nonivamide : A capsaicinoid that is the carboxamide resulting from the formal condensation of the amino group of 4-hydroxy-3-methoxybenzylamine with the carboxy group of nonanoic acid. It is the active ingredient in many pepper sprays.	2.03	1	0	capsaicinoid; phenols	lachrymator
eflornithine Eflornithine: An inhibitor of ORNITHINE DECARBOXYLASE, the rate limiting enzyme of the polyamine biosynthetic pathway.. eflornithine : A fluoroamino acid that is ornithine substituted by a difluoromethyl group at position 2.	2.1	1	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
r 59022 R 59022: diacylglycerol kinase inhibitor; structure given in first source; platelet activator factor antagonist	2.03	1	0	diarylmethane
diazepam Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.. diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5.	8.21	6	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diazoxide Diazoxide: A benzothiadiazine derivative that is a peripheral vasodilator used for hypertensive emergencies. It lacks diuretic effect, apparently because it lacks a sulfonamide group.. diazoxide : A benzothiadiazine that is the S,S-dioxide of 2H-1,2,4-benzothiadiazine which is substituted at position 3 by a methyl group and at position 7 by chlorine. A peripheral vasodilator, it increases the concentration of glucose in the plasma and inhibits the secretion of insulin by the beta- cells of the pancreas. It is used orally in the management of intractable hypoglycaemia and intravenously in the management of hypertensive emergencies.	2.03	1	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
pentetic acid Pentetic Acid: An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium.	2.03	1	0	pentacarboxylic acid	copper chelator
diphenyleneiodonium diphenyleneiodonium: structure in first source; NADPH oxidase inhibitor. dibenziodolium : An organic cation that is fluorene in which the methylene group is replaced by a positively charged iodine.	2.03	1	0	organic cation
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.	2.44	2	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disopyramide Disopyramide: A class I anti-arrhythmic agent (one that interferes directly with the depolarization of the cardiac membrane and thus serves as a membrane-stabilizing agent) with a depressant action on the heart similar to that of guanidine. It also possesses some anticholinergic and local anesthetic properties.. disopyramide : A monocarboxylic acid amide that is butanamide substituted by a diisopropylamino group at position 4, a phenyl group at position 2 and a pyridin-2-yl group at position 2. It is used as a anti-arrhythmia drug.	2.03	1	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram [no description available]	2.44	2	0	organic 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
2-amino-7-phosphonoheptanoic acid 2-amino-7-phosphonoheptanoic acid: (D)-isomer active as an antagonist of N-methyl-D-aspartate excitation of central neurons; (L)-isomer inactive; RN given refers to cpd without isomeric designation	2.03	1	0
thiorphan Thiorphan: A potent inhibitor of membrane metalloendopeptidase (ENKEPHALINASE). Thiorphan potentiates morphine-induced ANALGESIA and attenuates naloxone-precipitated withdrawal symptoms.	2.03	1	0	N-acyl-amino acid
2,3-dimethoxy-1,4-naphthoquinone 2,3-dimethoxynaphthalene-1,4-dione : A naphthoquinone that is 1,4-naphthoquinone bearing two methoxy substituents at positions 2 and 3. Redox-cycling agent that induces intracellular superoxide anion formation and, depending on the concentration, induces cell proliferation, apoptosis or necrosis. Used to study the role of ROS in cell toxicity, apoptosis, and necrosis.	2.44	2	0	1,4-naphthoquinones
domperidone Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.. domperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations.	2.44	2	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
droperidol Droperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in conjunction with an opioid analgesic such as FENTANYL to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon. It is also used as a premedicant, as an antiemetic, and for the control of agitation in acute psychoses. (From Martindale, The Extra Pharmacopoeia, 29th ed, p593). droperidol : An organofluorine compound that is haloperidol in which the hydroxy group has been eliminated with the introduction of a double bond in the piperidine ring, and the 4-chlorophenyl group has been replaced by a benzimidazol-2-on-1-yl group. It is used in the management of chemotherapy-induced nausea and vomiting, and in conjunction with an opioid analgesic such as fentanyl to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon.	2.44	2	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
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.	2.44	2	0	benzoselenazole	anti-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.	2.44	2	0	indole 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.	2.44	2	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
erythrosine Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays.	2.39	2	0
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.	2.03	1	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
etodolac Etodolac: A non-steroidal anti-inflammatory agent and cyclooxygenase-2 (COX-2) inhibitor with potent analgesic and anti-arthritic properties. It has been shown to be effective in the treatment of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; ANKYLOSING SPONDYLITIS; and in the alleviation of postoperative pain (PAIN, POSTOPERATIVE).. etodolac : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl moiety. A preferential inhibitor of cyclo-oxygenase 2 and non-steroidal anti-inflammatory, it is used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. Administered as the racemate, only the (S)-enantiomer is active.	2.03	1	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
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.	2.03	1	0	carbamate ester	anticonvulsant; neuroprotective agent
felodipine Felodipine: A dihydropyridine calcium antagonist with positive inotropic effects. It lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels.. felodipine : The mixed (methyl, ethyl) diester of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium-channel blocker, it lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. It is used in the management of hypertension and angina pectoris.	2.44	2	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator 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	2.44	2	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
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.	2.05	1	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory 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.	2.92	4	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
flunitrazepam Flunitrazepam: A benzodiazepine with pharmacologic actions similar to those of DIAZEPAM that can cause ANTEROGRADE AMNESIA. Some reports indicate that it is used as a date rape drug and suggest that it may precipitate violent behavior. The United States Government has banned the importation of this drug.. flunitrazepam : A 1,4-benzodiazepinone that is nitrazepam substituted by a methyl group at position 1 and by a fluoro group at position 2'. It is a potent hypnotic, sedative, and amnestic drug used to treat chronic insomnia.	2.65	3	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
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.	2.44	2	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluspirilene Fluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia.	2.44	2	0	diarylmethane
flutamide Flutamide: An antiandrogen with about the same potency as cyproterone in rodent and canine species.	2.44	2	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
formoterol fumarate N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide : A phenylethanoloamine having 4-hydroxy and 3-formamido substituents on the phenyl ring and an N-(4-methoxyphenyl)propan-2-yl substituent.	2.44	2	0	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
fpl 64176 FPL 64176: an activator of L-type calcium channels; structure given in first source. FPL 64176 : 1H-Pyrrole substituted at C-2 and -5 by methyl groups, at C-3 by methoxycarbonyl and at C-4 by a 2-benzylbenzoyl group.	2.44	2	0	carboxylic ester; pyrroles	calcium channel agonist
furafylline [no description available]	2.03	1	0	oxopurine
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.	2.44	2	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
fusaric acid Fusaric Acid: A picolinic acid derivative isolated from various Fusarium species. It has been proposed for a variety of therapeutic applications but is primarily used as a research tool. Its mechanisms of action are poorly understood. It probably inhibits DOPAMINE BETA-HYDROXYLASE, the enzyme that converts dopamine to norepinephrine. It may also have other actions, including the inhibition of cell proliferation and DNA synthesis.	2.03	1	0	aromatic carboxylic acid; pyridines
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.	2.03	1	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
4-amino-5-hexynoic acid 4-amino-5-hexynoic acid: structure	2.03	1	0
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.	7.72	3	0	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite
glipizide Glipizide: An oral hypoglycemic agent which is rapidly absorbed and completely metabolized.. glipizide : An N-sulfonylurea that is glyburide in which the (5-chloro-2-methoxybenzoyl group is replaced by a (5-methylpyrazin-2-yl)carbonyl group. An oral hypoglycemic agent, it is used in the treatment of type 2 diabetes mellitus.	2.03	1	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
glyburide Glyburide: An antidiabetic sulfonylurea derivative with actions like those of chlorpropamide. glyburide : An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group.	2.44	2	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
go 6976 [no description available]	2.03	1	0	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide [no description available]	2.03	1	0	isoquinolines; sulfonamide
1-(5-isoquinolinesulfonyl)piperazine [no description available]	2.03	1	0	isoquinolines
fasudil fasudil: intracellular calcium antagonist; structure in first source. fasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.	2.03	1	0	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.	2.69	3	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
harmaline Harmaline: A beta-carboline alkaloid isolated from seeds of PEGANUM.. harmaline : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond.	6.66	27	0	harmala alkaloid	oneirogen
harmalol harmalol: inhibitor of rat liver microsomal UDP-glucuronyltransferase; RN given refers to parent cpd; structure. harmalol : A harmala alkaloid in which the harman skeleton is hydroxy-substituted at C-7 and has been reduced across the 3,4 bond.	5.07	13	0	harmala alkaloid	algal metabolite; EC 1.4.3.4 (monoamine oxidase) inhibitor
hemicholinium 3 [no description available]	2.03	1	0	morpholines
miltefosine miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin. miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine.	2.05	1	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
4-fluorohexahydrosiladifenidol [no description available]	2.03	1	0
ethidium Ethidium: A trypanocidal agent and possible antiviral agent that is widely used in experimental cell biology and biochemistry. Ethidium has several experimentally useful properties including binding to nucleic acids, noncompetitive inhibition of nicotinic acetylcholine receptors, and fluorescence among others. It is most commonly used as the bromide.. ethidium : The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA.	7.37	2	0	phenanthridines	fluorochrome; intercalator
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.	2.03	1	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea [no description available]	2.03	1	0	one-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
ibudilast [no description available]	2.03	1	0	pyrazolopyridine
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	2.03	1	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
ic 261 [no description available]	2.73	3	0	indoles
ifenprodil ifenprodil: NMDA receptor antagonist	2.03	1	0	piperidines
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.	2.01	1	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indirubin-3'-monoxime indirubin-3'-monoxime: has antiangiogenic activity. indirubin-3'-monoxime : A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime.	2.44	2	0
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.	2.03	1	0	aromatic 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
iodoacetamide [no description available]	2.03	1	0
1-methyl-3-isobutylxanthine 1-Methyl-3-isobutylxanthine: A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES. 3-isobutyl-1-methylxanthine : An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively.	2.03	1	0	3-isobutyl-1-methylxanthine
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).	6.96	1	0	carbohydrazide	antitubercular agent; drug allergen
4-piperidinecarboxylic acid 4-piperidinecarboxylic acid: structure in first source	2.44	2	0
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline WHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration	2.03	1	0
jl 18 JL 18: a pyridobenzodiazepine derivative bioisoster of clozapine	2.44	2	0
nsc 664704 kenpaullone: inhibits CDK1/cyclin B; structure in first source. kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta).	2.73	3	0	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
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.	2.44	2	0	dichlorobenzene; 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.	2.03	1	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
kynurenic acid Kynurenic Acid: A broad-spectrum excitatory amino acid antagonist used as a research tool.. kynurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4.	2.03	1	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
2-amino-3-phosphonopropionic acid 2-amino-3-phosphonopropionic acid: metabotropic glutamate receptor antagonist; do not confuse AP-3 used as an abbreviation for this with enhancer-binding protein AP-3 (a trans-activator) or clathrin assembly protein AP-3. 2-amino-3-phosphonopropanoic acid : A non-proteinogenc alpha-amino acid that is alanine in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group.	2.03	1	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
lamotrigine [no description available]	2.03	1	0	1,2,4-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
lansoprazole Lansoprazole: A 2,2,2-trifluoroethoxypyridyl derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS. Lansoprazole is a racemic mixture of (R)- and (S)-isomers.	2.44	2	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase. beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities.	2.44	2	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic 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.	2.03	1	0	(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
linopirdine linopirdine: acetylcholine releasing drug	2.44	2	0	indoles
loratadine Loratadine: A second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (HISTAMINE H1 ANTAGONISTS) it lacks central nervous system depressing effects such as drowsiness.. loratadine : A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders.	2.44	2	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
loxoprofen loxoprofen: RN given refers to parent cpd without isomeric designation; structure in first source. loxoprofen : A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-oxocyclopentyl)methyl]phenyl group. A prodrug that is rapidly converted into its active trans-alcohol metabolite following oral administration.	2.03	1	0	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source	2.44	2	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
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.	2.07	1	0	primary aliphatic amine
meclofenamate sodium anhydrous [no description available]	2.03	1	0	organic sodium salt
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.	2.05	1	0	aminobenzoic 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
mefloquine hydrochloride [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol : An organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4.	2.05	1	0	organofluorine compound; piperidines; quinolines; secondary alcohol
methadone Methadone: A synthetic opioid that is used as the hydrochloride. It is an opioid analgesic that is primarily a mu-opioid agonist. It has actions and uses similar to those of MORPHINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1082-3). methadone : A racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction.. 6-(dimethylamino)-4,4-diphenylheptan-3-one : A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4.	1.98	1	0	benzenes; diarylmethane; ketone; tertiary amino compound
methiothepin Methiothepin: A serotonin receptor antagonist in the CENTRAL NERVOUS SYSTEM used as an antipsychotic.. methiothepin : A dibenzothiepine that is 10,11-dihydrodibenzo[b,f]thiepine bearing additional methylthio and 4-methylpiperazin-1-yl substituents at positions 8 and 10 respectively. Potent 5-HT2 antagonist, also active as 5-HT1 antagonist. Differentiates 5-HT1D sub-types. Also displays affinity for rodent 5-HT5B, 5-HT5A, 5-HT7 and 5-HT6 receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively).	2.03	1	0	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist
methoctramine [no description available]	2.03	1	0	aromatic ether; tetramine	muscarinic antagonist
nocodazole [no description available]	2.44	2	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
3-Hydroxy-alpha-methyl-DL-tyrosine [no description available]	2.03	1	0	benzenes; monocarboxylic acid
methyl methanesulfonate [no description available]	1.97	1	0	methanesulfonate ester	alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen
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.	2.44	2	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
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.	3.51	1	0	dichlorobenzene; ether; imidazoles
midazolam Midazolam: A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH.. midazolam : An imidazobenzodiazepine that is 4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted by a methyl, 2-fluorophenyl and chloro groups at positions 1, 6 and 8, respectively.	1.97	1	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
milrinone [no description available]	2.03	1	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator 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.	2.03	1	0	dialkylarylamine; tertiary amino compound
mitotane Mitotane: A derivative of the insecticide DICHLORODIPHENYLDICHLOROETHANE that specifically inhibits cells of the adrenal cortex and their production of hormones. It is used to treat adrenocortical tumors and causes CNS damage, but no bone marrow depression.	2.03	1	0	diarylmethane
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.	2.44	2	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
ml 7 ML-7 : An N-sulfonyldiazepane resullting from the formal condensation of 5-iodo-1-naphthylsulfonic acid with one of the nitrogens of 1,4-diazepane. It is a selective inhibitor of myosin light chain kinase (EC 2.7.11.18).	2.44	2	0	N-sulfonyldiazepane; organoiodine compound	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
ml 9 [no description available]	2.05	1	0	naphthalenes; sulfonic acid derivative
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide N-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide: calmodulin antagonist; structure given in first source. N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide : A sulfonamide that is 5-chloronaphthalene-2-sulfonamide in which one of the hydrogens of the nitrogen atom is substituted by a 4-aminobutyl group.	2.03	1	0	naphthalenes; organochlorine compound; primary amino compound; sulfonamide
n-bromoacetamide [no description available]	2.03	1	0
ethylmaleimide Ethylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies.	2.03	1	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
fg 7142 FG 7142: benzodiazepine receptor agonist	2.44	2	0	beta-carbolines
fenamic acid fenamic acid: has chloride and potassium channel-blocking activity; RN given refers to parent cpd. fenamic acid : An aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs.	2.03	1	0	aminobenzoic acid; secondary amino compound	membrane transport modulator
n 0840 N(6)-cyclopentyl-9-methyladenine: selective, orally active A(1) adenosine receptor antagonist	2.44	2	0
nialamide Nialamide: An MAO inhibitor that is used as an antidepressive agent.	2.44	2	0	organonitrogen compound; organooxygen compound
niclosamide Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48). niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.	2.44	2	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
nifedipine Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.	2.44	2	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
niflumic acid Niflumic Acid: An analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis.	2.03	1	0	aromatic carboxylic acid; pyridines
nilutamide [no description available]	2.03	1	0	(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.	2.03	1	0	aromatic 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.	2.44	2	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nipecotic acid nipecotic acid: RN given refers to cpd without isomeric designation. nipecotic acid : A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group.	2.03	1	0	beta-amino acid; piperidinemonocarboxylic acid
nitrendipine Nitrendipine: A calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive.. nitrendipine : A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension.	2.44	2	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
masoprocol nordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata)	2.44	2	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
5-nitro-2-(3-phenylpropylamino)benzoic acid 5-nitro-2-(3-phenylpropylamino)benzoic acid: structure given in first source; chloride channel antagonist	2.44	2	0	nitrobenzoic acid
ns 2028 NS 2028: structure in first source	2.03	1	0
ns 1619 NS 1619: structure given in first source. NS 1619 : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca).	2.44	2	0	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
o(6)-benzylguanine O(6)-benzylguanine: a suicide inhibitor of O(6)-methylguanine-DNA methyltransferase activity	2.03	1	0
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.	2.44	2	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
olomoucine olomoucine: inhibits protein P34CDC2. olomoucine : A 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a cyclin-dependent kinase inhibitor.	2.72	3	0	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
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.	2.44	2	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxatomide oxatomide: structure; an anti-allergic & an anti-asthmatic. oxatomide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one substituted by a 3-[4-(diphenylmethyl)piperazin-1-yl]propyl group at position 1. It is an anti-allergic drug.	2.44	2	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
oxiracetam oxiracetam: structure in first source	2.03	1	0	organonitrogen compound; organooxygen compound
oxolinic acid quinolone antibiotic : An organonitrogen heterocyclic antibiotic whose structure contains a quinolone or quinolone-related skeleton.	2.03	1	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
quinone benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).	2.03	1	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
fenclonine Fenclonine: A selective and irreversible inhibitor of tryptophan hydroxylase, a rate-limiting enzyme in the biosynthesis of serotonin (5-HYDROXYTRYPTAMINE). Fenclonine acts pharmacologically to deplete endogenous levels of serotonin.	2.41	2	0	phenylalanine derivative
palmidrol palmidrol: a cannabinoid receptor-inactive eCB-related molecule used as prophylactic in helping to prevent respiratory viral infection. palmitoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of palmitic (hexadecanoic) acid.	2.44	2	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
1,7-dimethylxanthine 1,7-dimethylxanthine : A dimethylxanthine having the two methyl groups located at positions 1 and 7. It is a metabolite of caffeine and theobromine in animals.	2.03	1	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
pargyline Pargyline: A monoamine oxidase inhibitor with antihypertensive properties.	2.7	3	0	aromatic amine
pd 169316 2-(4-nitrophenyl)-4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazole: p38 MAP kinase inhibitor	2.05	1	0	imidazoles
pd 98059 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one: inhibits MAP kinase kinase (MEK) activity, p42 MAPK and p44 MAPK; structure in first source. 2-(2-amino-3-methoxyphenyl)chromen-4-one : A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'.	2.44	2	0	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
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.	2.95	4	0	aromatic 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
pentoxifylline [no description available]	2.03	1	0	oxopurine
perphenazine Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.. perphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10.	2.44	2	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
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.	7.38	2	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenyl biguanide phenyl biguanide: RN given refers to parent cpd. phenyl biguanide : A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a phenyl group.	2.44	2	0	guanidines	central nervous system drug
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.	2.44	2	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
phloretin [no description available]	2.44	2	0	dihydrochalcones	antineoplastic agent; plant metabolite
picotamide picotamide: has anticoagulant & fibrinolytic properties; structure	2.44	2	0	benzamides
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)	2.44	2	0	pyridines
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.	2.41	2	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
piperidine-4-sulfonic acid piperidine-4-sulfonic acid: specific GABA agonist	2.03	1	0
piracetam Piracetam: A compound suggested to be both a nootropic and a neuroprotective agent.	2.03	1	0	organonitrogen compound; organooxygen compound
pirenperone [no description available]	2.44	2	0	aromatic ketone
potassium chloride Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion.	2.41	2	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
1-NA-PP1 [no description available]	2.03	1	0	pyrazolopyrimidine	tyrosine kinase inhibitor
ag 1879 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor	2.03	1	0	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
praziquantel azinox: Russian drug	2.44	2	0	isoquinolines
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.	2.03	1	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
proglumide Proglumide: A drug that exerts an inhibitory effect on gastric secretion and reduces gastrointestinal motility. It is used clinically in the drug therapy of gastrointestinal ulcers.. proglumide : A racemate composed of equal amounts of (R)- and (S)-proglumide. A non-selective CCK antagonist that was used primarily for treatment of stomach ulcers, but has been replaced by newer drugs.. N(2)-benzoyl-N,N-dipropyl-alpha-glutamine : A dicarboxylic acid monoamide obtained by formal condensation of the alpha-carboxy group of N-benzoylglutamic acid with dippropylamine.	2.03	1	0	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
propanil Propanil: A chlorinated anilide that is used as an herbicide.. propanil : An anilide resulting from the formal condensation of the carboxy group of propanoic acid with the amino group of 3,4-dichloroaniline. It is a herbicide used for the treatment of numerous grasses and broad-leaved weeds in rice, potatoes, and wheat.	2.05	1	0	anilide; dichlorobenzene	herbicide
propentofylline [no description available]	2.44	2	0	oxopurine
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.	2.03	1	0	phenols	anticonvulsant; 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.	2	1	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
pf 5901 alpha-pentyl-3-(2-quinolinylmethoxy)benzenemethanol: structure given in first source; platelet activating factor antagonist	2.44	2	0	quinolines
riluzole Riluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS.	2.44	2	0	benzothiazoles
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.	2.44	2	0	1,2-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
ritanserin Ritanserin: A selective and potent serotonin-2 antagonist that is effective in the treatment of a variety of syndromes related to anxiety and depression. The drug also improves the subjective quality of sleep and decreases portal pressure.. ritanserin : A thiazolopyrimidine that is 5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one which is substituted at position 7 by a methyl group and at position 6 by a 2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl group. A potent and long-acting seratonin (5-hydroxytryptamine, 5-HT) antagonist of the subtype 5-HT2 (Ki = 0.39 nM), it is used in the treatment of a variety of disorders including anxiety, depression and schizophrenia. It has little sedative action.	2.44	2	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
ro 31-8220 Ro 31-8220: a protein kinase C inhibitor	2.03	1	0	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone 4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone: Inhibitor of phosphodiesterases.	2.03	1	0	methoxybenzenes
rolipram [no description available]	2.03	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
salmeterol xinafoate salmeterol : A racemate consisting of equal parts of (R)- and (S)-salmeterol. It is a potent and selective beta2-adrenoceptor agonist (EC50 = 5.3 nM). Unlike other beta2 agonists, it binds to the exo-site domain of beta2 receptors, producing a slow onset of action and prolonged activation.. 2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol : A phenol having a hydroxymethyl group at C-2 and a 1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl group at C-4; derivative of phenylethanolamine.	2.03	1	0	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
sb 202190 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase	2.73	3	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sobuzoxane sobuzoxane: used in treatment of leukemia L1210	2.03	1	0	organic molecular entity
spiroxatrine spiroxatrine: structure	2.44	2	0	imidazolidines
sq 22536 9-(tetrahydrofuryl)adenine : A nucleoside analogue that is adenine in which the nitrogen at position 9 has been substituted by a tetrahydrofuran-2-yl group. It is an adenylate cyclase inhibitor.	2.03	1	0	nucleoside analogue; oxolanes	EC 4.6.1.1 (adenylate cyclase) 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.	2.03	1	0	primary 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
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.	2.03	1	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
t0156 [no description available]	2.44	2	0	naphthyridine derivative
1,4-bis(2-(3,5-dichloropyridyloxy))benzene 1,4-bis(2-(3,5-dichloropyridyloxy))benzene: potent phenobarbital-like inducer of microsomal monooxygenase activity; structure given in first source	2.03	1	0
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.	2.44	2	0	diarylmethane
tetraisopropylpyrophosphamide Tetraisopropylpyrophosphamide: N,N',N'',N'''-Tetraisopropylpyrophosphamide. A specific inhibitor of pseudocholinesterases. It is commonly used experimentally to determine whether pseudo- or acetylcholinesterases are involved in an enzymatic process.	2.44	2	0	phosphoramide
thalidomide Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.	2.03	1	0	phthalimides; piperidones
theobromine Theobromine: 3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than THEOPHYLLINE and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9). theobromine : A dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator.	2.03	1	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
thiabendazole Tresaderm: dermatologic soln containing dexamethasone, thiabendazole & neomycin sulfate	3.51	1	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate: intracellular calcium antagonist; RN given refers to parent cpd	2.03	1	0	trihydroxybenzoic acid
tofisopam tofisopam: structure; dextofisopam is the R-enantiomer of tofisopam & antidiarrheal	1.96	1	0	organic molecular entity
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.	2.03	1	0	N-sulfonylurea	hypoglycemic 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.	2.44	2	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid (1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid: a GABA-C receptor antagonist; structure in first source	2.03	1	0
ici 136,753 [no description available]	2.44	2	0	pyrazolopyridine
triamterene Triamterene: A pteridinetriamine compound that inhibits SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS.. triamterene : Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema.	2.44	2	0	pteridines	diuretic; sodium channel blocker
trifluperidol Trifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621)	1.98	1	0	aromatic ketone
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.	2.44	2	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
tropicamide Tropicamide: One of the MUSCARINIC ANTAGONISTS with pharmacologic action similar to ATROPINE and used mainly as an ophthalmic parasympatholytic or mydriatic.	2.03	1	0	acetamides
tyrphostin a9 [no description available]	2.44	2	0	alkylbenzene	geroprotector
vigabatrin [no description available]	2.03	1	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine 8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine: adenosine receptor antagonist	2.44	2	0
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source. lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation.	2.44	2	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zardaverine zardaverine: structure given in first source. zardaverine : A pyridazinone derivative in which pyridazin-3(2H)-one is substituted at C-6 with a 4-(difluoromethoxy)-3-methoxyphenyl group. It is a phosphodiesterase inhibitor, selective for PDE3 and 4.	2.03	1	0	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
zm 336372 N-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide: an inhibitor of c-Raf; activates Raf-1; structure in first source	2.03	1	0	benzamides
cortisone acetate Cortisone Acetate: The acetate ester of cortisone that is used mainly for replacement therapy in adrenocortical insufficiency and in the treatment of many allergic and inflammatory disorders.	2.03	1	0	corticosteroid hormone
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.	1.97	1	0	mitomycin	alkylating agent; antineoplastic agent
corticosterone [no description available]	3.11	5	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
prednisolone Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone.	1.99	1	0	11beta-hydroxy 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; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
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.	1.99	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
reserpine Reserpine: An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use.. reserpine : An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria.	2.96	4	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
procaine hydrochloride Gerovital H3: Contains mainly procaine & small amounts of benzoic acid, potassium metabisulfite & disodium phosphate	2.03	1	0	organic molecular entity
isoproterenol hydrochloride [no description available]	2.44	2	0	catechols
histamine dihydrochloride Ceplene: Tradename for histamine dihydrochloride.	2.03	1	0
carbachol Carbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS.	2.42	2	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
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.	2.44	2	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
aldosterone [no description available]	1.99	1	0	11beta-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
estrone Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.	2.71	3	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone [no description available]	2.71	3	0	17-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.	2.39	2	0	17-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.	2.39	2	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
promazine hydrochloride [no description available]	2.44	2	0	hydrochloride
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.	2.36	2	0	2-acetamidofluorenes	antimitotic; carcinogenic agent; epitope; mutagen
pilocarpine hydrochloride pilocarpine hydrochloride : The hydrochloride salt of (+)-pilocarpine, a medication used to treat increased pressure inside the eye and dry mouth.	2.03	1	0	hydrochloride
dimethylphenylpiperazinium iodide Dimethylphenylpiperazinium Iodide: A selective nicotinic cholinergic agonist used as a research tool. DMPP activates nicotinic receptors in autonomic ganglia but has little effect at the neuromuscular junction.	2.44	2	0	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
pentylenetetrazole Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility.. pentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis.	2.43	2	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
diethylnitrosamine Diethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties.. N-nitrosodiethylamine : A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom.	2.38	2	0	nitrosamine	carcinogenic agent; hepatotoxic agent; mutagen
racepinephrine hydrochloride [no description available]	2.44	2	0
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride: A drug that selectively activates certain subclasses of muscarinic receptors and also activates postganglionic nicotinic receptors. It is commonly used experimentally to distinguish muscarinic receptor subtypes.	2.44	2	0
hexamethonium bromide [no description available]	2.03	1	0
cystamine dihydrochloride [no description available]	2.03	1	0
cantharidin Cantharidin: A toxic compound, isolated from the Spanish fly or blistering beetle (Lytta (Cantharis) vesicatoria) and other insects. It is a potent and specific inhibitor of protein phosphatases 1 (PP1) and 2A (PP2A). This compound can produce severe skin inflammation, and is extremely toxic if ingested orally.. cantharidin : A monoterpenoid with an epoxy-bridged cyclic dicarboxylic anhydride structure secreted by many species of blister beetle, and most notably by the Spanish fly, Lytta vesicatoria. Natural toxin inhibitor of protein phosphatases 1 and 2A.	2.44	2	0	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide
tetraethylammonium chloride tetraethylammonium chloride : A quarternary ammonium chloride salt in which the cation has four ethyl substituents around the central nitrogen.	2.44	2	0	organic chloride salt; quaternary ammonium salt	potassium channel blocker
4-nitroquinoline-1-oxide 4-nitroquinoline N-oxide : A quinoline N-oxide carrying a nitro substituent at position 4.	1.97	1	0	C-nitro compound; quinoline N-oxide	carcinogenic agent
aspartic acid Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid.	2.44	2	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.. L-glutamine : An optically active form of glutamine having L-configuration.. glutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.	2.03	1	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
lysine Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine.	2.25	1	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
vincristine [no description available]	2.03	1	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
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.	2.71	3	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
apomorphine Apomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use.	7.69	3	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
promethazine hydrochloride [no description available]	2.44	2	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
bromodeoxyuridine Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors.	2.4	2	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
phenylephrine Phenylephrine: An alpha-1 adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent.. phenylephrine : A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring.	2.41	2	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
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	2.44	2	0	amino 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
p-dimethylaminoazobenzene p-Dimethylaminoazobenzene: A reagent used mainly to induce experimental liver cancer. According to the Fourth Annual Report on Carcinogens (NTP 85-002, p. 89) published in 1985, this compound may reasonably be anticipated to be a carcinogen. (Merck, 11th ed)	6.96	1	0	azobenzenes
methoxamine hydrochloride [no description available]	2.44	2	0	dimethoxybenzene
papaverine hydrochloride [no description available]	2.44	2	0
n,n-dimethyltryptamine N,N-Dimethyltryptamine: An N-methylated indoleamine derivative and serotonergic hallucinogen which occurs naturally and ubiquitously in several plant species including Psychotria veridis. It also occurs in trace amounts in mammalian brain, blood, and urine, and is known to act as an agonist or antagonist of certain SEROTONIN RECEPTORS.. N,N-dimethyltryptamine : A tryptamine derivative having two N-methyl substituents on the side-chain.	1.96	1	0	tryptamine alkaloid; tryptamines
methylene blue Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN.. methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties.	2.04	1	0	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
bretylium tosylate Bretylium Tosylate: An agent that blocks the release of adrenergic transmitters and may have other actions. It was formerly used as an antihypertensive agent, but is now proposed as an anti-arrhythmic.. bretylium tosylate : The tosylate salt of bretylium. It blocks noradrenaline release from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation.	2.44	2	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
4-nitrobenzoic acid 4-nitrobenzoic acid: RN given refers to parent cpd. 4-nitrobenzoic acid : A nitrobenzoic acid having the nitro group at the 4-position.	2.39	2	0	nitrobenzoic acid
berlition berlition: antioxidant preparation containing alpha-lipoic acid, used in the neuroprotective therapy of chronic brain ischemia for correction of free-radical processes. (R)-lipoic acid : The (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties.. lipoic acid : A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position.	2.03	1	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
methacholine chloride Methacholine Chloride: A quaternary ammonium parasympathomimetic agent with the muscarinic actions of ACETYLCHOLINE. It is hydrolyzed by ACETYLCHOLINESTERASE at a considerably slower rate than ACETYLCHOLINE and is more resistant to hydrolysis by nonspecific CHOLINESTERASES so that its actions are more prolonged. It is used as a parasympathomimetic bronchoconstrictor agent and as a diagnostic aid for bronchial asthma. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1116)	2.03	1	0	quaternary ammonium salt
aniline [no description available]	6.96	1	0	anilines; primary arylamine
androstenedione Androstenedione: A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL.. androst-4-ene-3,17-dione : A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads.	2.92	4	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
desoxycorticosterone Desoxycorticosterone: A steroid metabolite that is the 11-deoxy derivative of CORTICOSTERONE and the 21-hydroxy derivative of PROGESTERONE	2.39	2	0	20-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.	2.44	2	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
yohimbine hydrochloride [no description available]	2.44	2	0
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)	2.03	1	0
cycloheximide Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis.. cycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus.	2.03	1	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
egtazic acid Egtazic Acid: A chelating agent relatively more specific for calcium and less toxic than EDETIC ACID.. ethylene glycol bis(2-aminoethyl)tetraacetic acid : A diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively.	2.47	2	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
cycloserine Cycloserine: Antibiotic substance produced by Streptomyces garyphalus.. D-cycloserine : A 4-amino-1,2-oxazolidin-3-one that has R configuration. It is an antibiotic produced by Streptomyces garyphalus or S. orchidaceus and is used as part of a multi-drug regimen for the treatment of tuberculosis when resistance to, or toxicity from, primary drugs has developed. An analogue of D-alanine, it interferes with bacterial cell wall synthesis in the cytoplasm by competitive inhibition of L-alanine racemase (which forms D-alanine from L-alanine) and D-alanine--D-alanine ligase (which incorporates D-alanine into the pentapeptide required for peptidoglycan formation and bacterial cell wall synthesis).	2.03	1	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
triaziquone Triaziquone: Alkylating antineoplastic agent used mainly for ovarian tumors. It is toxic to skin, gastrointestinal tract, bone marrow and kidneys.. triaziquone : A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups.	1.96	1	0	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent
17-alpha-hydroxyprogesterone 17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone.	2.92	4	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
quinacrine monohydrochloride [no description available]	2.44	2	0
chlorpromazine hydrochloride [no description available]	2.44	2	0	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
mannitol [no description available]	2.08	1	0	mannitol	allergen; 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 hydrochloride [no description available]	2.03	1	0
asparagine Asparagine: A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed). asparagine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group.	2.25	1	0	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.	2.92	4	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
lidocaine hydrochloride lidocaine hydrochloride : The anhydrous form of the hydrochloride salt of lidocaine.	2.44	2	0	hydrochloride	anti-arrhythmia drug; local anaesthetic
4-chlorobenzoic acid 4-chlorobenzoic acid: RN given refers to parent cpd. 4-chlorobenzoic acid : A monochlorobenzoic acid carrying a chloro substituent at position 4.	2.39	2	0	monochlorobenzoic acid	bacterial xenobiotic 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.	2.46	2	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
propane Propane: A three carbon alkane with the formula H3CCH2CH3.	2.21	1	0	alkane; gas molecular entity	food propellant
acetonitrile acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.	2.02	1	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
acrylamide [no description available]	2.25	1	0	acrylamides; N-acylammonia; primary carboxamide	alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin
taurocholic acid Taurocholic Acid: The product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic.. taurocholate : An organosulfonate oxoanion that is the conjugate base of taurocholic acid.. taurocholic acid : A bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals.	1.98	1	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
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.	2.44	2	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
aminacrine Aminacrine: A highly fluorescent anti-infective dye used clinically as a topical antiseptic and experimentally as a mutagen, due to its interaction with DNA. It is also used as an intracellular pH indicator.. 9-aminoacridine : An aminoacridine that is acridine in which the hydrogen at position 9 is replaced by an amino group. A fluorescent dyd and topical antiseptic agent, it is used (usually as the hydrochloride salt) in eye drops for the treatment of superficial eye infections.	1.96	1	0	aminoacridines; primary amino compound	acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen
xanthone xanthone : The parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9.	2.05	1	0	xanthones	insecticide
quinoxalines quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4.	3.84	11	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
quinoline [no description available]	7.39	2	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
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'.	2.07	1	0	hydroxybiphenyls
synephrine [no description available]	2.03	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
2-methylindole 2-methylindole: SKATOLE refers to 3-methylindole; RN given refers to parent cpd; structure. 2-methyl-1H-indole : A methylindole that is 1H-indole substituted by a methyl group at position 2.	2.07	1	0	methylindole
4-tert-butylbenzoic acid 4-tert-butylbenzoic acid: RN given refers to parent cpd	2.39	2	0	alkylbenzene
3-toluic acid 3-toluic acid: RN given refers to parent cpd; structure	2.39	2	0	methylbenzoic acid	human xenobiotic metabolite
3-aminobenzoic acid 3-aminobenzoic acid: RN given refers to parent cpd. 3-aminobenzoic acid : An aminobenzoic acid carrying an amino group at position 3.	2.39	2	0	aminobenzoic acid
3-hydroxybenzoic acid 3-hydroxybenzoic acid: RN given refers to parent cpd. 3-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from Taxus baccata. It is used as an intermediate in the synthesis of plasticisers, resins, pharmaceuticals, etc.	2.39	2	0	monohydroxybenzoic acid	bacterial metabolite; plant metabolite
4-toluic acid 4-toluic acid: RN given refers to parent cpd; structure. p-toluic acid : A methylbenzoic acid in which the methyl substituent is located at position 4.	2.39	2	0	methylbenzoic acid
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.	2.39	2	0	methoxybenzoic acid	plant metabolite
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.	2.03	1	0	pyridinium salt
acrolein [no description available]	2.06	1	0	enal	herbicide; human xenobiotic metabolite; toxin
imipramine hydrochloride [no description available]	2.44	2	0	hydrochloride	antidepressant
neostigmine bromide neostigmine bromide : The bromide salt of neostigmine.	2.41	2	0	bromide salt
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.	2.03	1	0	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
isoquinoline [no description available]	1.96	1	0	azaarene; isoquinolines; mancude organic heterobicyclic parent; ortho-fused heteroarene
3-nitrobenzoic acid 3-nitrobenzoic acid: RN given refers to parent cpd	2.39	2	0
suramin sodium suramin sodium : An organic sodium salt that is the hexasodium salt of suramin. It is an FDA approved drug for African sleeping sickness and river blindness.	2.44	2	0	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
pyrazolanthrone pyrazolanthrone: JNK (c-Jun N-terminal kinase) inhibitor; structure in first source. anthra[1,9-cd]pyrazol-6(2H)-one : A member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase.	2.73	3	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
methapyrilene hydrochloride methapyrilene hydrochloride : A hydrochloride that is the monohydrochloride salt of methapyrilene.	2.44	2	0	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
tetrracaine hydrochloride leocaine: a crystal beta-modification of the beta-dimethylaminoethyl ether of n-butylaminobenzoic acid hydrochloride	2.03	1	0	benzoate ester
chelidamic acid [no description available]	2.03	1	0
pregnenolone [no description available]	2.39	2	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
yohimbine Yohimbine: A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION.. yohimbine : An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina.	2.4	2	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
2-chloroadenosine 5-chloroformycin A: structure given in first source	2.44	2	0	purine nucleoside
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.	2.44	2	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
cysteamine hydrochloride [no description available]	2.03	1	0
oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.	2.45	2	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
thiazoles [no description available]	2.72	3	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
pyrimidine pyrimidine : The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions.	7	1	0	diazine; pyrimidines	Daphnia magna metabolite
propantheline bromide [no description available]	2.44	2	0	xanthenes
edrophonium bromide [no description available]	1.99	1	0
hydralazine hydrochloride hydralazine hydrochloride : The hydrochloride salt of hydralazine; a direct-acting vasodilator that is used as an antihypertensive agent.	2.03	1	0	hydrochloride	antihypertensive agent; vasodilator agent
ethamivan ethamivan: minor descriptor (65-72); major descriptor (73-86); on-line search BENZAMIDES (66-86); INDEX MEDICUS search BENZAMIDES (65-72); ETHAMIVAN (73-86). etamivan : Phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse.	2.03	1	0	methoxybenzenes; phenols
pargyline hydrochloride [no description available]	2.44	2	0
aminophylline Aminophylline: A drug combination that contains THEOPHYLLINE and ethylenediamine. It is more soluble in water than theophylline but has similar pharmacologic actions. It's most common use is in bronchial asthma, but it has been investigated for several other applications.. aminophylline : A mixture comprising of theophylline and ethylenediamine in a 2:1 ratio.	2.03	1	0	mixture	bronchodilator agent; cardiotonic drug
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.	2.03	1	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
orphenadrine hydrochloride orphenadrine hydrochloride : A hydrochloride comprising equimolar amounts of ophenadrine and hydrogen chloride.	2.44	2	0	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
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.	2.07	1	0	benzazepine 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
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)	2.44	2	0	11beta-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
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide Benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(N,N-dimethyl-N-2-propenyl-), Dibromide: Proposed cholinesterase inhibitor.	2.44	2	0
cyproterone acetate [no description available]	2.44	2	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
nandrolone Nandrolone: C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of ESTRADIOL to resemble TESTOSTERONE but less one carbon at the 19 position.. nandrolone : A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17.	1.99	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid	human metabolite
4-(trifluoromethyl)benzoic acid 4-trifluoromethylbenzoic acid : A benzoic acid carrying a 4-trifluoromethyl substituent.	2.39	2	0	(trifluoromethyl)benzenes; benzoic acids
3-fluorobenzoic acid [no description available]	2.39	2	0	fluorobenzoic acid
4-fluorobenzoic acid [no description available]	2.39	2	0	fluorobenzoic acid	bacterial xenobiotic metabolite
fluorobenzenes Fluorobenzenes: Derivatives of BENZENE that contain FLUORINE.. monofluorobenzene : The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.. fluorobenzenes : Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group.	1.97	1	0	monofluorobenzenes	NMR chemical shift reference compound
cepharanthine cepharanthine: isoquinoline alkaloid from tubers of STEPHANIA; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation. cepharanthine : A bisbenzylisoquinoline alkaloid from tubers of Stephania; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation.	2.04	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
bicuculline Bicuculline: An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors.. bicuculline : A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species.	2.03	1	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
kainic acid Kainic Acid: (2S-(2 alpha,3 beta,4 beta))-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid. Ascaricide obtained from the red alga Digenea simplex. It is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose.	2.03	1	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
bufotenin Bufotenin: A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic.. bufotenin : A tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5.	1.96	1	0	tertiary amine; tryptamine alkaloid	coral metabolite; hallucinogen
salsolidine salsolidine: RN given refers to parent cpd without isomeric designation	3.13	1	0	isoquinolines
melarsoprol Melarsoprol: Arsenical used in trypanosomiases. It may cause fatal encephalopathy and other undesirable side effects.	2.05	1	0	triazines
3-pyridinaldehyde pyridine-3-carbaldehyde : A pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3.	1.96	1	0	pyridinecarbaldehyde
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.	2.73	3	0	furonaphthodioxole; 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.	1.99	1	0	17beta-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.	2.39	2	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
tetrahydrozoline hydrochloride tetrahydrozoline hydrochloride : The hydrochloride salt of tetryzoline. It is used as a nasal decongestant.	2.44	2	0	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
dequalinium chloride dequalinium chloride : An organic chloride salt that is the dichloride salt of dequalinium.	2.44	2	0	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
azomycin azomycin: RN given refers to parent cpd with specified locant; structure	2.39	2	0	C-nitro compound; imidazoles	antitubercular agent
chlormethiazole Chlormethiazole: A sedative and anticonvulsant often used in the treatment of alcohol withdrawal. Chlormethiazole has also been proposed as a neuroprotective agent. The mechanism of its therapeutic activity is not entirely clear, but it does potentiate GAMMA-AMINOBUTYRIC ACID receptors response and it may also affect glycine receptors.	1.97	1	0	thiazoles
decamethonium dibromide [no description available]	2.44	2	0
amitriptyline hydrochloride [no description available]	2.44	2	0	organic tricyclic compound
naphazoline hydrochloride [no description available]	2.44	2	0	organic molecular entity
doxylamine succinate [no description available]	2.44	2	0	organic molecular entity
carbamylhydrazine monohydrochloride [no description available]	2.03	1	0	organic molecular entity
formestane [no description available]	2.44	2	0	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
anatabine anatabine: alkaloid found in tobacco; structure	2.31	1	0	bipyridines
debrisoquin sulfate [no description available]	2.03	1	0	organic sulfate salt
3-methoxybenzoic acid [no description available]	2.39	2	0	methoxybenzoic acid	flavouring agent; human urinary metabolite
4-bromobenzoic acid 4-bromobenzoic acid : A bromobenzoic acid carrying a single bromo subsituent at the 4-position.	2.39	2	0	bromobenzoic acid
betaine hydrochloride [no description available]	2.03	1	0
bethanechol chloride bethanechol chloride : The chloride salt of bethanechol. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention.	2.03	1	0	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
algestone Algestone: A synthetic progestational dihydroxy derivative of PROGESTERONE. Its acetonide possesses anti-inflammatory properties.. algestone : A C21-steroid that is pregn-4-ene substituted by oxo groups at position 3 and 20 and hydroxy groups at positions 16 and 17.	1.99	1	0	16alpha-hydroxy steroid; 17-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; C21-steroid; tertiary alpha-hydroxy ketone	progestin
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.	2.03	1	0	acetylcysteine; 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-iodobenzoate 3-iodobenzoic acid: RN given refers to unlabeled parent cpd. 3-iodobenzoic acid : An iodobenzoic acid with a single iodo substituent placed at the 3-position.	2.39	2	0	iodobenzoic acid
4-ethylbenzoic acid [no description available]	2.39	2	0	benzoic acids
4-cyanobenzoic acid [no description available]	2.39	2	0
2-methylimidazole [no description available]	2.39	2	0
methoxytryptophol [no description available]	1.98	1	0	indoles
Mecamylamine hydrochloride [no description available]	2.44	2	0	monoterpenoid
vinblastine [no description available]	2.03	1	0
cyproheptadine hydrochloride (anhydrous) cyproheptadine hydrochloride (anhydrous) : The hydrochloride salt of cyproheptadine. Note that the drug named cyproheptadine hydrochloride generally refers to cyproheptadine hydrochloride sesquihydrate.	2.44	2	0	hydrochloride
chlormequat Chlormequat: A plant growth regulator that is commonly used on ornamental plants.. chlormequat : A quaternary ammonium ion that is choline in which the hydroxy group has been replaced by a chlorine. Its salts (particularly the chloride salt, known as chlormequat chloride) are used as plant growth retardants.	1.99	1	0	quaternary ammonium ion	plant growth retardant
5-methoxyindole 5-methoxyindole: structure in first source	2.42	2	0	indoles
4-amino-3-phenylbutyric acid 4-amino-3-phenylbutyric acid: phenyl deriv of GABA; RN given refers to cpd without isomeric designation; structure	2.69	3	0	organonitrogen compound; organooxygen compound
pyridine-2-carboxaldehyde pyridine-2-carboxaldehyde: structure in first source. 2-formylpyridine : A pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group.	1.96	1	0	pyridinecarbaldehyde
2-acetylpyridine 2-acetylpyridine: structure in first source	1.96	1	0	aromatic ketone
ethidium bromide [no description available]	2.13	1	0	organic bromide salt	geroprotector; intercalator; trypanocidal drug
6-methoxyquinoline 6-methoxyquinoline: RN given refers to parent cpd. 6-methoxyquinoline : An aromatic ether that is quinoline substituted at position 6 by a methoxy group.	2.42	2	0	aromatic ether; quinolines
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.	2.1	1	0	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
3-quinuclidinol quinuclidin-3-Ol: structure in first source	1.98	1	0	quinuclidines; secondary alcohol; tertiary amine
3-hydroxyphenyltrimethylammonium 3-hydroxyphenyltrimethylammonium: RN given refers to parent cpd; structure	1.99	1	0
1-methyl-2-nitroimidazole [no description available]	2.39	2	0
heliamine heliamine: RN given refers to parent cpd; structure. heliamine : An isoquinoline that is 1,2,3,4-tetrahydroisoquinoline substituted by methoxy groups at positions 6 and 7.	1.96	1	0	aromatic ether; diether; isoquinoline alkaloid; isoquinolines	plant metabolite
2,3,7,8-tetrachlorodibenzodioxine Tetrachlorodibenzodioxin: A mixture of isomers.	1.99	1	0	polychlorinated dibenzodioxine
5 alpha-androstane-3 alpha,17 beta-diol 5alpha-androstane-3alpha,17beta-diol : The 5alpha-stereoisomer of androstane-3alpha,17beta-diol.	2.03	1	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
tetrachloroisophthalonitrile tetrachloroisophthalonitrile: structure. chlorothalonil : A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops.	3.51	1	0	aromatic fungicide; dinitrile; tetrachlorobenzene	antifungal agrochemical
5-hydroxyindole [no description available]	2.07	1	0	hydroxyindoles	human metabolite
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.	2.44	2	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
azetidyl-2-carboxylic acid azetidyl-2-carboxylic acid: a proline analog (with 4-membered ring in place of 5); a toxic non-protein amino acid that is misincorporated into protein in place of proline; induces nonfunctional heat-shock proteins; inhibits acquired thermotolerance; RN given refers to (L)-isomer; found in beets and Liliaceae. (S)-azetidine-2-carboxylic acid : The (S)-enantiomer of azetidine-2-carboxylic acid.. azetidinecarboxylic acid : A member of the class of azetidines that is azetidine substituted by at least one carboxy group at unspecified position.	2.03	1	0	azetidine-2-carboxylic acid
muscarine [no description available]	2.03	1	0
2,4,2',4'-tetrachlorobiphenyl 2,4,2',4'-tetrachlorobiphenyl: structure. 2,2',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which each of the phenyl groups is substituted at positions 2 and 4 by chlorines.	1.99	1	0	dichlorobenzene; tetrachlorobiphenyl
butyrylcholine butyrylcholine: RN given refers to parent cpd	1.99	1	0	acylcholine
antazoline hydrochloride [no description available]	2.44	2	0
doxifluridine doxifluridine : A pyrimidine 5'-deoxyribonucleoside that is 5-fluorouridine in which the hydroxy group at the 5' position is replaced by a hydrogen. It is an oral prodrug of the antineoplastic agent 5-fluorouracil. Designed to circumvent the rapid degradation of 5-fluorouracil by dihydropyrimidine dehydrogenase in the gut wall, it is converted into 5-fluorouracil in the presence of pyrimidine nucleoside phosphorylase.	2.03	1	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
octachlorodibenzo-4-dioxin octachlorodibenzo-4-dioxin: RN given refers to unlabeled parent cpd	1.99	1	0	polychlorinated dibenzodioxine
meclofenoxate hydrochloride [no description available]	2.03	1	0
clonidine hydrochloride [no description available]	2.03	1	0	dichlorobenzene
beclomethasone [no description available]	2.44	2	0	11beta-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
butyrylthiocholine Butyrylthiocholine: A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity.. butyrylthiocholine : A quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity.	1.99	1	0	quaternary ammonium ion
st 91 ST 91: RN given refers to parent cpd; structure	1.98	1	0	substituted aniline
buthionine sulfoximine Buthionine Sulfoximine: A synthetic amino acid that depletes glutathione by irreversibly inhibiting gamma-glutamylcysteine synthetase. Inhibition of this enzyme is a critical step in glutathione biosynthesis. It has been shown to inhibit the proliferative response in human T-lymphocytes and inhibit macrophage activation. (J Biol Chem 1995;270(33):1945-7). 2-amino-4-(S-butylsulfonimidoyl)butanoic acid : A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group carries an oxo, imino and butyl groups.. S-butyl-DL-homocysteine (S,R)-sulfoximine : A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl.	2.44	2	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
mexiletine hydrochloride mexiletine hydrochloride : A hydrochloride composed of equimolar amounts of mexiletine and hydrogen chloride.	2.44	2	0	hydrochloride	anti-arrhythmia drug
lilly 51641 Lilly 51641: RN given refers to parent cpd; structure	1.97	1	0
cyclophosphamide cyclophosphamide hydrate : The monohydrate of cyclophosphamide.	2.03	1	0	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent
suxamethonium chloride succinylcholine chloride (anhydrous) : A chloride salt in which the negative charge of the chloride ions is balanced by succinylcholine dications.	2.03	1	0	chloride salt	muscle relaxant
cyclobenzaprine hydrochloride cyclobenzaprine hydrochloride : The hydrochloride salt of cyclobenzaprine. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm.	2.44	2	0	hydrochloride	antidepressant; muscle relaxant
n-methylaspartate N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration.	2.03	1	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
3-deazaadenosine 3-deazaadenosine: RN given refers to parent cpd.	2.44	2	0
metoclopramide hydrochloride metoclopramide hydrochloride : A hydrate that is the monohydrate form of metoclopramide monohydrochloride.	2.44	2	0
isoetharine mesylate [no description available]	2.44	2	0
mercury Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero.	7.25	1	0	elemental mercury; zinc group element atom	neurotoxin
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.	1.97	1	0	metal 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.	2.03	1	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
acetylglucosamine Acetylglucosamine: The N-acetyl derivative of glucosamine.. N-acetyl-beta-D-glucosamine : An N-acetyl-D-glucosamine having beta-configuration at the anomeric centre.	1.98	1	0	N-acetyl-D-glucosamine	epitope
propionylpromazine hydrochloride [no description available]	2.44	2	0
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	2.44	2	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.	2.38	2	0	diatomic chlorine; gas molecular entity	bleaching agent
nsc-145,668 [no description available]	2.03	1	0	hydrochloride	antimetabolite; antineoplastic agent
clodronic acid Clodronic Acid: A diphosphonate which affects calcium metabolism. It inhibits bone resorption and soft tissue calcification.. clodronic acid : An organochlorine compound that is methylene chloride in which both hydrogens are replaced by phosphonic acid groups. It inhibits bone resorption and soft tissue calcification, and is used (often as the disodium salt tetrahydrate) as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases.	2.03	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
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.	3.51	1	0	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
n-ethyl-n-hydroxyethylnitrosamine N-ethyl-N-(2-hydroxyethyl)nitrosamine : A nitrosamine that is N-nitrosodiethylamine in which one of the ethyl froups has been replaced by a 2-hydroxyethyl group. It is used to induce renal and liver tumours in rodents.	6.98	1	0	nitrosamine; primary alcohol	carcinogenic agent
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.	2.02	1	0	selegiline; terminal acetylenic compound	geroprotector
benserazide hydrochloride benserazide hydrochloride : A hydrochloride that is the monohydrochloride salt of benserazide. An aromatic-L-amino-acid decarboxylase inhibitor (DOPA decarboxylase inhibitor) that does not enter the central nervous system, it is used as an adjunct to levodopa in the treatment of parkinsonism. By preventing the conversion of levodopa to dopamine in the periphery, it causes an increase in the amount of levodopa reaching the central nervous system and so reduces the required dose. Benserazide hydrochloride has no antiparkinson actions when given alone.	2.44	2	0	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pancuronium bromide pancuronium bromide : A bromide salt consisting of two bromide ions and one pancuronium dication.	2.44	2	0	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
tetradecanoylphorbol acetate Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.. phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types.	2.44	2	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
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.	2.44	2	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
metergoline Metergoline: A dopamine agonist and serotonin antagonist. It has been used similarly to BROMOCRIPTINE as a dopamine agonist and also for MIGRAINE DISORDERS therapy.. metergoline : An ergoline alkaloid that is the N-benzyloxycarbonyl derivative of lysergamine. A 5-HT2 antagonist. Also 5-HT1 antagonist and 5-HT1D ligand. Has moderate affinity for 5-HT6 and high affinity for 5-HT7.	2.44	2	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
lisuride Lisuride: An ergot derivative that acts as an agonist at dopamine D2 receptors (DOPAMINE AGONISTS). It may also act as an antagonist at dopamine D1 receptors, and as an agonist at some serotonin receptors (SEROTONIN RECEPTOR AGONISTS).	2.03	1	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
1-deoxynojirimycin 1-deoxy-nojirimycin: structure in first source. duvoglustat : An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration.	2.08	1	0	2-(hydroxymethyl)piperidine-3,4,5-triol; piperidine alkaloid	anti-HIV agent; anti-obesity agent; bacterial metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; plant metabolite
disopyramide phosphate [no description available]	2.44	2	0	organoammonium phosphate
2-bromoergocryptine mesylate [no description available]	2.05	1	0	methanesulfonate salt	antiparkinson drug
bromocriptine Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion.	2.03	1	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
ergocristine ergocristine: an ergot alkaloid; one of the three components of ergotoxine; has alpha blocking action, stimulates smooth muscles & antagonizes serotonin; used as oxytocic & in peripheral disorders; minor descriptor (77-86); on-line & INDEX MEDICUS search EROLINES (77-86); RN given refers to ((5'alpha)-isomer). ergocristine : Ergotaman bearing benzyl, hydroxy, and isopropyl groups at the 5', 12' and 2' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid.	2.03	1	0	ergot alkaloid
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	2.11	1	0	benzenes; phenyl acetates
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.	2.03	1	0	11beta-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
benzonidazole benzonidazole: used in treatment of Chagas' disease. benznidazole : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease.	2.05	1	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
transferrin Transferrin: An iron-binding beta1-globulin that is synthesized in the LIVER and secreted into the blood. It plays a central role in the transport of IRON throughout the circulation. A variety of transferrin isoforms exist in humans, including some that are considered markers for specific disease states.	3.09	1	0
2-chlorodibenzofuran 2-chlorodibenzofuran: structure	1.99	1	0
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	2.03	1	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
sodium azide Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed). sodium azide : The sodium salt of hydrogen azide (hydrazoic acid).	2.41	2	0	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
azides Azides: Organic or inorganic compounds that contain the -N3 group.. azide : Any nitrogen molecular entity containing the group -N3.	1.97	1	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
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.	2.42	2	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
1,2,3,4-tetrachlorodibenzodioxin 1,2,3,4-tetrachlorodibenzodioxin: structure given in first source	1.99	1	0	polychlorinated dibenzodioxine
pcb 118 [no description available]	1.99	1	0	dichlorobenzene; pentachlorobiphenyl; trichlorobenzene
3,4,3',4'-tetrachlorobiphenyl 3,4,3',4'-tetrachlorobiphenyl: RN given refers to parent cpd. 3,3',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines.	1.99	1	0	dichlorobenzene; tetrachlorobiphenyl
2,3,3',4,4'-pentachlorobiphenyl [no description available]	1.99	1	0	dichlorobenzene; pentachlorobiphenyl; trichlorobenzene
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).	2.44	2	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
2,3,4,5-tetrachlorobiphenyl tetrachlorobiphenyl : Any polychlorobiphenyl with molecular formula C12H6Cl4.	1.99	1	0	tetrachlorobenzene; tetrachlorobiphenyl
buspirone hydrochloride buspirone hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of buspirone and hydrogen chloride.	2.44	2	0	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
etoposide [no description available]	2.44	2	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
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.	2.44	2	0	hydrochloride	anti-arrhythmia drug
1,2,7,8-tetrachlorodibenzo-p-dioxin 1,2,7,8-tetrachlorodibenzo-p-dioxin: structure in first source	1.99	1	0
norsalsolinol norsalsolinol: rigid dopamine analog; RN given refers to parent cpd; structure. norsalsolinol : An isoquinolinol that is 1,2,3,4-tetrahydroisoquinoline substituted by hydroxy groups at positions 6 and 7. It is present in the dopamine-rich areas of the human brain, including the substantia nigra.	1.96	1	0	isoquinolinol	animal metabolite; apoptosis inducer; human metabolite; marine metabolite
2,4,5,2',4',5'-hexachlorobiphenyl [no description available]	1.99	1	0	hexachlorobiphenyl
etazolate hydrochloride [no description available]	2.44	2	0
butaclamol [no description available]	2.03	1	0	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist
ribavirin Rebetron: Rebetron is tradename	2.44	2	0	1-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
thiocholine Thiocholine: A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain.	1.99	1	0
2,3,3',4,4',5-hexachlorobiphenyl [no description available]	1.99	1	0	dichlorobenzene; hexachlorobiphenyl; tetrachlorobenzene
carbidopa [no description available]	2.44	2	0	catechols; 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.	2.03	1	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
2,8-dichlorodibenzo-4-dioxin 2,8-dichlorodibenzo-4-dioxin: metabolite for 2,3,7,8-TCDD	1.99	1	0
1,2,3,4,7,8-hexachlorodibenzodioxin 1,2,3,4,7,8-hexachlorodibenzodioxin: structure given in first source	1.99	1	0	polychlorinated dibenzodioxine
1,2,4-trichlorodibenzo-1,4-dioxin 1,2,4-trichlorodibenzo-1,4-dioxin: structure given in first source	1.99	1	0
1,2,3,7,8-pentachlorodibenzo-p-dioxin [no description available]	1.99	1	0	polychlorinated dibenzodioxine
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.	2.03	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
flunixin meglumine flunixin meglumine : An organoammonium salt obtained by combining flunixin with one molar equivalent of 1-deoxy-1-(methylamino)-D-glucitol. A relatively potent non-narcotic, nonsteroidal analgesic with anti-inflammatory, anti-endotoxic and anti-pyretic properties; used in veterinary medicine for treatment of horses, cattle and pigs.	2.05	1	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
lonidamine lonidamine: structure. lonidamine : A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively.	2.03	1	0	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
2,3,7,8-tetrabromodibenzo-4-dioxin 2,3,7,8-tetrabromodibenzo-4-dioxin: structure given in first source. 2,3,7,8-tetrabromodibenzodioxine : An organobromine compound that is dibenzodioxine carrying four bromo substituents at positions 2, 3, 7 and 8.	1.99	1	0	dibenzodioxine; organobromine compound
ng-nitroarginine methyl ester NG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension.	2.08	1	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
dexibuprofen dexibuprofen: structure in first source	2.03	1	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
2,3,7,8-tetrachlorodibenzofuran 2,3,7,8-tetrachlorodibenzofuran: toxic product which was generated in Italy due to an explosion in a plant manufacturing 2,4,5-trichlorophenol	1.99	1	0	polychlorinated dibenzofuran
quisqualic acid Quisqualic Acid: An agonist at two subsets of excitatory amino acid receptors, ionotropic receptors that directly control membrane channels and metabotropic receptors that indirectly mediate calcium mobilization from intracellular stores. The compound is obtained from the seeds and fruit of Quisqualis chinensis.	2.03	1	0	non-proteinogenic alpha-amino acid
pirfenidone pirfenidone : A pyridone that is 2-pyridone substituted at positions 1 and 5 by phenyl and methyl groups respectively. An anti-inflammatory drug used for the treatment of idiopathic pulmonary fibrosis.	2.03	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
mefloquine (-)-(11S,2'R)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (-)-(11S,2'R)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.	2.05	1	0	[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol	antimalarial
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).	2.44	2	0	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride [no description available]	2.44	2	0	dihydropyridine	geroprotector
2,3,4,7,8-pentachlorodibenzofuran 2,3,4,7,8-pentachlorodibenzofuran: structure given in first source	1.99	1	0	polychlorinated dibenzofuran
1,2,3,7,8-pentachlorodibenzofuran 1,2,3,7,8-pentachlorodibenzofuran: structure given in first source; RN given refers to parent cpd	1.99	1	0	polychlorinated dibenzofuran
metalaxyl metalaxyl: RN given refers to (DL-Ala)-isomer. metalaxyl : A racemate comprising equal amounts of (R)- and (S)-metalaxyl. A systemic fungicide, it is active against phytopathogens of the order Peronosporales and is used to conrtrol Pythium in a number of vegetable crops.. methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate : An alanine derivative that is methyl alaninate in which one of the hydrogens attached to the nitrogen is substituted by a methoxyacetyl group, while the other is substituted by a 2,6-dimethylphenyl group.	3.51	1	0	alanine derivative; aromatic amide; carboxamide; ether; methyl ester
idarubicin Idarubicin: An orally administered anthracycline antineoplastic. The compound has shown activity against BREAST NEOPLASMS; LYMPHOMA; and LEUKEMIA.	2.44	2	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
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.	2.03	1	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
terazosin hydrochloride anhydrous [no description available]	2.44	2	0
pergolide mesylate pergolide mesylate : A methanesulfonate salt obtained from pergolide by mixing eqimolar amount of pergolide and methanesulfonic acid. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.	2.44	2	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
ranitidine hydrochloride label : A role played by a part of a molecular entity distinguishable by the observer but not by the system and used to identify a tracer.	2.03	1	0
colforsin Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland.	2.03	1	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
2-amino-6-methyldipyrido(1,2-a-3',2'-d)imidazole 2-amino-6-methyldipyrido(1,2-a-3',2'-d)imidazole: structure	3.06	1	0	imidazopyridine
cefaclor anhydrous Cefaclor: Semisynthetic, broad-spectrum antibiotic derivative of CEPHALEXIN.. cefaclor : A cephalosporin bearing chloro and (R)-2-amino-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton.	2.03	1	0	cephalosporin	antibacterial drug; drug allergen
1,2,3,4,7,8-hexachlorodibenzofuran [no description available]	1.99	1	0	polychlorinated dibenzofuran
alo 2145 apraclonidine hydrochloride : The hydrochloride salt of apraclonidine.	2.03	1	0	hydrochloride	alpha-adrenergic agonist; antiglaucoma drug
2,3,4,4'5-pentachlorobiphenyl [no description available]	1.99	1	0	monochlorobenzenes; pentachlorobiphenyl; tetrachlorobenzene
rimcazole rimcazole: RN given refers to (cis)-isomer; structure given in first source	2.04	1	0	carbazoles
2-amino-3-methylimidazo(4,5-f)quinoline 2-amino-3-methylimidazo(4,5-f)quinoline: mutagen found in broiled food; RN given refers to parent cpd; structure given in first source; frequently abbreviated as IQ in the literature. 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine : An imidazoquinoline that is 3H-imidazo[4,5-f]quinoline substituted by a methyl group at position 3 and an amino group at position 2.	2.76	3	0	imidazoquinoline	carcinogenic agent
enoximone Enoximone: A selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with CONGESTIVE HEART FAILURE.	2.03	1	0	aromatic ketone
idazoxan Idazoxan: A benzodioxane-linked imidazole that has alpha-2 adrenoceptor antagonist activity.. idazoxan : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine in which one of the hydrogens at position 2 has been replaced by a 4,5-dihydro-1H-imidazol-2-yl group.	2.42	2	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
atomoxetine atomoxetine : A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents.	2.44	2	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
raloxifene hydrochloride Raloxifene Hydrochloride: A second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue.. raloxifene hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride.	2.44	2	0	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
mifepristone Mifepristone: A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary CUSHING SYNDROME.	2.44	2	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
quinpirole hydrochloride [no description available]	2.03	1	0
imazodan imazodan: RN & structure given in first source;	2.03	1	0
salmeterol xinafoate Salmeterol Xinafoate: A selective ADRENERGIC BETA-2 RECEPTOR agonist that functions as a BRONCHODILATOR when administered by inhalation. It is used to manage the symptoms of ASTHMA and CHRONIC OBSTRUCTIVE PULMONARY DISEASE.	2.05	1	0	naphthoic acid
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.	2.05	1	0	3-oxo steroid; aza-steroid; delta-lactam	androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
1,3-di-(4-imidazolino-2-methoxyphenoxy)propane 1,3-di-(4-imidazolino-2-methoxyphenoxy)propane: structure given in first source	1.99	1	0
mibefradil dihydrochloride [no description available]	2.44	2	0
eliprodil 1-(4-chlorophenyl)-2-[4-(4-fluorobenzyl)piperidin-1-yl]ethanol : A member of the class of piperidines that is piperidine substituted by a 2-(4-chlorophenyl)-2-hydroxyethyl group at position 1 and by a 4-fluorobenzyl group at position 4.	2.05	1	0	monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound
befloxatone befloxatone: selectively inhibits monoamine oxidase A; structure in first source; RN given refers to (R)-isomer	2.02	1	0
aptiganel hydrochloride [no description available]	2.44	2	0
adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit	2.03	1	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
phenelzine sulfate [no description available]	2.44	2	0	organic molecular entity
2-amino-3-methyl-9h-pyrido(2,3-b)indole 2-amino-3-methyl-9H-pyrido(2,3-b)indole: pyrolysis product of soybean globulins; structure	2.02	1	0	pyridoindole
2-amino-3,4-dimethylimidazo(4,5-f)quinoline 2-amino-3,4-dimethylimidazo(4,5-f)quinoline: strong mutagens found in broiled food; structure given in first source	2.79	3	0	aminoquinoline
2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline 2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline: strong mutagen found in broiled foods; structure given in first source. MeIQx : An imidazoquinoxaline that is 3H-imidazo[4,5-f]quinoxaline substituted at positions 3 and 8 by methyl groups and at position 2 by an amino group. A mutagenic compound found in cooked beef.	3.77	10	0	aromatic amine; imidazoquinoxaline	carcinogenic agent; genotoxin; Maillard reaction product; mutagen
2-amino-9h-pyrido(2,3-b)indole 2-amino-9H-pyrido(2,3-b)indole: pyrolysis product of soybean globulins; RN given refers to unlabeled cpd; structure	3.03	4	0	pyridoindole
fluoxetine hydrochloride fluoxetine hydrochloride : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine hydrochloride. A selective serotonin reuptake inhibitor (SSRI), it is used for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.	2.44	2	0	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
propranolol hydrochloride Inderex: combination of above cpds; used in treatment of hypertension	2.44	2	0	hydrochloride
bupropion hydrochloride [no description available]	2.44	2	0	aromatic 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.	2.44	2	0	hydrochloride	antihypertensive 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.	2.44	2	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
verapamil hydrochloride verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride.	2.44	2	0
doxazosin mesylate Cardura: Trade name in United States.	2.44	2	0	methanesulfonate salt	geroprotector
terfenadine [no description available]	2.44	2	0	diarylmethane
sertraline hydrochloride sertraline hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of sertraline and hydrogen chloride. A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder.	2.05	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
3,4,5,3',4'-pentachlorobiphenyl 3,3',4,4',5-pentachlorobiphenyl : A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions.	1.99	1	0	pentachlorobiphenyl; trichlorobenzene
amantadine hydrochloride [no description available]	2.44	2	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
mevastatin mevastatin: antifungal metabolite from Penicillium brevicopactum; potent inhibitory activity to sterol synthesis; structure. mevastatin : A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals.	2.03	1	0	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
chloroquine diphosphate [no description available]	2.44	2	0
propamidine propamidine: structure given in first source. propamidine : A polyether that is the bis(4-guanidinophenyl) ether of propane-1,3-diol. Used (as its isethionate salt) for the treatment of minor eye or eyelid infections, such as conjunctivitis and blepharitis.	1.99	1	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
norharman norharman: RN given refers to parent cpd. beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring.	11.16	110	1	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite
thiazolyl blue thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium.	2.04	1	0	organic bromide salt	colorimetric reagent; dye
n-acetylaspartic acid N-acetyl-L-aspartic acid : An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl.	2.03	1	0	N-acetyl-L-amino acid; N-acyl-L-aspartic acid	antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite
hexamidine hexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol.	1.99	1	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
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.	2.44	2	0	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
desipramine hydrochloride desipramine hydrochloride : The hydrochloride salt of desipramine.	2.44	2	0	hydrochloride	drug allergen
dopamine hydrochloride P 498: structure in first source; do not confuse with dopamine chloride, also known as P 498	2.44	2	0	catecholamine
proadifen hydrochloride [no description available]	2.44	2	0
4-nitrobenzylthioinosine 4-nitrobenzylthioinosine: inhibitor of nucleoside transport; acts on ENT1	2.44	2	0	purine nucleoside
metrifudil [no description available]	2.03	1	0
rutecarpine rutacarpine: from Evodia rutaecarpa; an ingredient in zhuyu hewei zhitong capsules	2.44	2	0	beta-carbolines
prodipin [no description available]	1.98	1	0
divaplon divaplon: structure given in UD	2.04	1	0
trihexyphenidyl hydrochloride [no description available]	2.44	2	0	aralkylamine
thioridazine hydrochloride [no description available]	2.44	2	0	hydrochloride	first generation antipsychotic; geroprotector
procainamide hydrochloride procainamide hydrochloride : A hydrochloride which has procainamide as the amino component.	2.03	1	0	hydrochloride	anti-arrhythmia drug
siquil [no description available]	2.44	2	0	hydrochloride	anticoronaviral agent
2-ethylimidazole [no description available]	2.39	2	0
sotalol hydrochloride sotalol hydrochloride : A hydrochloride salt that is the monohydrochloride of sotalol. 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.	2.03	1	0	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist
oxymetazoline hydrochloride oxymetazoline hydrochloride : A hydrochloride salt resulting from the reaction of equimolar quantities of oxymetazoline and hydrogen chloride. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used to relieve nasal congestion.	2.44	2	0	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
alprenolol hydrochloride [no description available]	2.44	2	0	hydrochloride
2-methoxyestradiol 2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2.	2.44	2	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
fluphenazine hydrochloride [no description available]	2.44	2	0	phenothiazines	anticoronaviral agent
4-chlorophenethylamine 4-chlorophenethylamine: RN given refers to parent cpd	2.02	1	0
tryptamine monohydrochloride [no description available]	2.44	2	0
4-(fluorosulfonyl)benzoic acid [no description available]	2.39	2	0
2,4,6-trihydroxyacetophenone monoacetylphloroglucinol: structure in first source. 2',4',6'-trihydroxyacetophenone : A benzenetriol that is acetophenone in which the hydrogens at positions 2, 4, and 6 on the phenyl group are replaced by hydroxy groups. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of acidic glycans and glycopeptides.	7.05	1	0	aromatic ketone; benzenetriol; methyl ketone	MALDI matrix material; plant metabolite
harmol harmol: harmol is oxidized form of alkaloid harmolol; RN given refers to parent cpd; structure	4.8	10	0	harmala alkaloid
clomipramine hydrochloride clomipramine hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of clomipramine and hydrogen chloride. One of the more sedating tricyclic antidepressants, it is used for the treatment of depression as well as obsessive-compulsive disorder and phobias.	2.44	2	0	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
amiloride hydrochloride amiloride hydrochloride dihydrate : A hydrate that is the dihydrate of amiloride hydrochloride.	2.44	2	0	hydrate	diuretic; sodium channel blocker
prazosin hydrochloride [no description available]	2.44	2	0	hydrochloride
mianserin hydrochloride mianserin hydrochloride : The hydrochloride salt of mianserin, a tetracyclic compound with antidepressant effects.	2.44	2	0	hydrochloride	geroprotector
miconazole nitrate miconazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-miconazole nitrate. An antifungal used for the treatment of athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.	2.05	1	0
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.	2.44	2	0	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
fenspiride hydrochloride [no description available]	2.44	2	0
nilverm [no description available]	2.44	2	0	organic molecular entity
sanguinarine chloride [no description available]	2.44	2	0
rilmenidine Rilmenidine: Oxazole derivative that acts as an agonist for ALPHA-2 ADRENERGIC RECEPTORS and IMIDAZOLINE RECEPTORS. It is used in the treatment of HYPERTENSION.	2.08	1	0	isourea
ropinirole hydrochloride [no description available]	2.44	2	0	indoles
plasmenylserine plasmenylserine: RN given refers to (L)-isomer. O-phospho-L-serine : The L-enantiomer of O-phosphoserine.. O-phosphoserine : A serine derivative that is serine substituted at the oxygen atom by a phosphono group.	2.03	1	0	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5-aminovaleric acid hydrochloride [no description available]	2.03	1	0
2-phenylimidazole [no description available]	2.39	2	0
n-acetyltryptamine N-acetyltryptamine: antagonizes the melatonin-induced inhibition of dopamine release from retina; RN given refers to parent cpd. N-acetyltryptamine : A tryptamine compound having an acetyl substituent attached to the side-chain amino function.	2.03	1	0	acetamides; indoles
D-serine [no description available]	2.03	1	0	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
dihydroergotamine mesylate dihydroergotamine mesylate : The methanesulfonic acid salt of dihydroergotamine, a semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine. Both the mesylate and the tartrate salts are used for the treatment of migraine and orthostatic hypotension.	2.44	2	0	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
ranolazine hydrochloride [no description available]	2.44	2	0
lazabemide lazabemide: structure given in first source	2.03	1	0
loxapine succinate [no description available]	2.44	2	0	succinate salt	geroprotector
guanfacine hydrochloride [no description available]	2.44	2	0	acetamides	geroprotector
pirenzepine dihydrochloride [no description available]	2.03	1	0	hydrochloride
labetalol hydrochloride [no description available]	2.44	2	0	salicylamides
acecainide hydrochloride [no description available]	2.03	1	0
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.	2.44	2	0	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
tiazuril [no description available]	1.98	1	0	aryl sulfide
maprotiline hydrochloride [no description available]	2.44	2	0	anthracenes
protoporphyrin ix, disodium salt [no description available]	2.03	1	0
opipramol hydrochloride [no description available]	2.05	1	0
efaroxan efaroxan: RN given refers to parent cpd	2	1	0	1-benzofurans
siguazodan [no description available]	2.03	1	0	pyridazinone
3-octadecanamido-2-ethoxypropylphosphocholine 3-octadecanamido-2-ethoxypropylphosphocholine: anti-HIV agent; RN & structure given in first source	2.03	1	0
chelerythrine chloride [no description available]	2.44	2	0
tetrahydroalstonine tetrahydroalstonine : A heteropentacyclic compound that is (20alpha)-16,17-didehydro-18-oxayohimban which is substituted at position 16 by a methoxycarbonyl group and at position 19 by a methyl group. It is a metabolite found in several plant species.	1.98	1	0	methyl ester; organic heteropentacyclic compound; yohimban alkaloid	plant metabolite
tosyllysine chloromethyl ketone [no description available]	2.44	2	0
5-(n-methyl-n-isobutyl)amiloride 5-(N-methyl-N-isobutyl)amiloride: inhibitor of the Na+-H+ antiporter	2.44	2	0
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride 1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride : A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride.	2.44	2	0	hydrochloride	EC 2.7.11.13 (protein kinase C) inhibitor
amperozide hydrochloride amperozide hydrochloride : The hydrochloride salt of amperozide.	2.44	2	0	hydrochloride	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
pyrrolidine dithiocarbamic acid [no description available]	2.44	2	0
agroclavine agroclavine: structure. agroclavine : An ergot alkaloid that is ergoline which contains a double bond between positions 8 and 9, and which is substituted by methyl groups at positions 6 and 8.	2.03	1	0	ergot alkaloid
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid: precursor of mutagenic nitroso cpd in soy sauce; structure given in first source	2.95	4	0	harmala alkaloid
indole-5-carboxylic acid [no description available]	2.07	1	0	indolecarboxylic acid	plant metabolite
pentafluorobenzyl bromide pentafluorobenzyl bromide : A member of the class benzyl bromides that is benzyl bromide in which the hydrogens at positions 2, 3, 4, 5 and 6 of the phenyl ring are replaced by fluoro groups. It is a versatile derivatization agent in chromatography and mass spectrometry.	1.97	1	0	benzyl bromides; fluorobenzenes
reuterin [no description available]	2.21	1	0	alpha-CH2-containing aldehyde; propanals
s-methylisothiourea sulfate [no description available]	2.03	1	0
4-hydroxyindole hydroxyindoles : Any member of the class of indoles carrying at least one hydroxy group.	2.07	1	0	hydroxyindoles; phenols
p-Aminobenzamidine dihydrochloride [no description available]	2.44	2	0	organic molecular entity
phenyliodosodiacetate phenyliodosodiacetate: glycol-cleaving reagent used with amino alcohols in ring opening & Mannich base reactions; structure	2.11	1	0
2-(2-methyl-4-chlorophenylamino)-2-imidazoline 2-(2-methyl-4-chlorophenylamino)-2-imidazoline: RN given refers to parent cpd; structure in first source	1.98	1	0
xylonidine xylonidine: alpha adrenoreceptor stimulation by above cpd mainly inhibits the release of mediator and/or the bronchoconstriction caused by moderate activation of sensory nerves; forced molting agent; structure given in first source	1.98	1	0
1-methyl-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine [no description available]	1.98	1	0
benzamidine hydrochloride [no description available]	2.03	1	0
2-aminoimidazole 2-aminoimidazole: from catabolism of arginine	2.39	2	0
cryptolepine cryptolepine: fused indole-quinoline; structure in first source; from CRYPTOLEPIS sanguinolenta. cryptolepine : An organic heterotetracyclic compound that is 5H-indolo[3,2-b]quinoline in which the hydrogen at position N-5 is replaced by a methyl group.	2.05	1	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound	anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite
4-phenyl-1,2,3,6-tetrahydropyridine 4-phenyl-1,2,3,6-tetrahydropyridine: RN given refers to parent cpd	1.98	1	0
4-(methylthio)benzoic acid [no description available]	2.39	2	0
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.	2.03	1	0	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
hexyltrimethylammonium hexyltrimethylammonium: RN given refers to parent cpd	1.99	1	0
kampirone 1-(2-pyrimidinyl)piperazine: metabolite of buspirone; structure given in first source	2.42	2	0	N-arylpiperazine
methionine sulfoximine L-methionine sulfoximine : A methionine sulfoximine in which the amino group has S-stereochemistry.	2.03	1	0	L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector
tretazicar tretazicar: minor descriptor (75-84); on-line & Index Medicus search AZIRIDINES (75-84)	2.03	1	0
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.	3.02	4	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
carbetapentane citrate [no description available]	2.44	2	0	carbonyl compound
trimethyl(4-oxopentyl)ammonium trimethyl(4-oxopentyl)ammonium: RN given refers to parent cpd; acetylcholine antag. N,N,N-trimethyl-N-(4-oxopentyl)ammonium : A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and 4-oxopentyl.	1.99	1	0	quaternary ammonium ion
phentolamine mesylate [no description available]	2.44	2	0
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.	2.39	2	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
mephentermine sphinganine : A 2-aminooctadecane-1,3-diol having (2S,3R)-configuration.	2.44	2	0	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
oxybutynin hydrochloride [no description available]	2.44	2	0	hydrochloride
tetrahydroharmane [no description available]	2.9	4	0
nimustine nimustine hydrochloride : A hydrochloride obtained by combining nimustine with one equivalent of hydrochloric acid. An antineoplastic agent especially effective against malignant brain tumors.	2.03	1	0	hydrochloride	antineoplastic agent
cordium bepridil hydrochloride monohydrate : The hydrochloride monohydrate of bepridril.	2.03	1	0	hydrate; hydrochloride
1-methyl-4-(2'-methylphenyl)-1,2,3,6-tetrahydropyridine 1-methyl-4-(2'-methylphenyl)-1,2,3,6-tetrahydropyridine: more potent dopaminergic neurotoxic compound than MPTP in mice	2.38	2	0
L-2-aminoadipic acid L-2-aminoadipic acid : The L-enantiomer of 2-aminoadipic acid.	2.03	1	0	2-aminoadipic acid	Escherichia coli metabolite; human metabolite
prilocaine hydrochloride prilocaine hydrochloride : The monohydrochloride salt of prilocaine.	2.44	2	0	hydrochloride	local anaesthetic
mor-14 N-methyldeoxynojirimycin: glucosidase inhibitor	2.03	1	0	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
corynanthine Corynanthine: A stereoisomer of yohimbine.	1.98	1	0	yohimban alkaloid
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.	2.44	2	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
phenylisopropyladenosine [no description available]	2.03	1	0	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
hexamethonium chloride [no description available]	2.03	1	0
11-ketoprogesterone 11-ketoprogesterone: structure	1.99	1	0	corticosteroid hormone
pyrimidine dimers Pyrimidine Dimers: Dimers found in DNA chains damaged by ULTRAVIOLET RAYS. They consist of two adjacent PYRIMIDINE NUCLEOTIDES, usually THYMINE nucleotides, in which the pyrimidine residues are covalently joined by a cyclobutane ring. These dimers block DNA REPLICATION.	6.96	1	0
harmol hydrochloride [no description available]	2.46	2	0
diffractaic acid difractaic acid: from Lichen, Usnea steineri; active against Gram-positive, multidrug-resistant bacteria; structure in first source	2.05	1	0	carbonyl compound
1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid: used as a substitute for amino acids in synthetic peptides	1.96	1	0
4-mercaptobenzoate 4-mercaptobenzoate: substrate for 4-hydroxybenzoate hydroxylase	2.39	2	0
6-(4-nitrobenzylthio)guanosine 6-(4-nitrobenzylthio)guanosine: inhibitor of nucleoside transport	2.44	2	0
canthin-6-one canthin-6-one: from Zanthoxylum usambarense; structure in first source. canthin-6-one : An indole alkaloid that is 6H-indolo[3,2,1-de][1,5]naphthyridine substituted by an oxo group at position 6.	2.54	2	0	enone; indole alkaloid; organic heterotetracyclic compound	antimycobacterial drug; metabolite
3-aminopropylphosphonic acid 3-aminopropylphosphonic acid: RN given refers to parent cpd; structure. (3-aminopropyl)phosphonic acid : A phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 3-aminopropyl group. It is a partial agonist of GABAB receptors.	2.03	1	0	phosphonic acids; primary amino compound; zwitterion	GABAB receptor agonist
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid 1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid: structure given in first source; RN given refers to cpd without isomeric designation. 1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid : A member of the class of beta-carbolines that is 1,2,3,4-tetrahydro-beta-carboline substituted at position 3 by a carboxy group.	2.74	3	0	alpha-amino acid; aromatic amino acid; beta-carboline alkaloid	human urinary metabolite; human xenobiotic metabolite; plant metabolite; rat metabolite
1,2,3,4-tetrahydro-1-methyl-beta-carboline-1-carboxylic acid 1,2,3,4-tetrahydro-1-methyl-beta-carboline-1-carboxylic acid: condensation product of pyruvic acid and tryptamine	1.97	1	0
5'-n-methylcarboxamideadenosine 5'-N-methylcarboxamideadenosine: RN given refers to (beta-D)-isomer	2.03	1	0
3,7-dimethyl-1-propargylxanthine 3,7-dimethyl-1-propargylxanthine: potent & selective in vivo antagonist of adenosine analogs	2.03	1	0
zpck ZPCK: alkylates histidine residue at active center of bovine chymotrypsin	2.44	2	0
2,5-dihydro-2-(4-methoxyphenyl)-3h-pyrazolo(4,3-c)quinolin-3-one [no description available]	2.9	4	0
n(6)-phenyladenosine [no description available]	2.03	1	0	purine nucleoside
2 alpha-methyl-9 alpha-fluorocortisol [no description available]	1.99	1	0
tetrahydrodeoxycorticosterone tetrahydrodeoxycorticosterone: RN given refers to (3alpha,5beta)-isomer	2.44	2	0	21-hydroxy steroid
n-methyladenosine N-methyladenosine: is a inhibitor of cell differentiation. N(6)-methyladenosine : A methyladenosine compound with one methyl group attached to N(6) of the adenine nucleobase.	2.03	1	0	methyladenosine
3,4,8-trimethylimidazo(4,5-f)quinoxalin-2-amine 3,4,8-trimethylimidazo(4,5-f)quinoxalin-2-amine: structure given in first source	2.78	3	0	quinoxaline derivative
mizoribine [no description available]	2.03	1	0	imidazoles	anticoronaviral agent
1-amino-1,3-dicarboxycyclopentane 1-amino-1,3-dicarboxycyclopentane: RN given refers to (cis)-isomer	2.03	1	0
u 73122 1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione: structure given in first source. U-73122 : An aza-steroid that is 3-O-methyl-17beta-estradiol in which the 17beta-hydroxy group is replaced by a 6-(maleimid-1-yl)hexylamino group. An inibitor of phospholipase C.	2.03	1	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
1,4-dihydropyridine [no description available]	2	1	0
alphaxalone alphaxalone: RN given refers to (3alpha,5alpha)-isomer; structure	2.03	1	0	corticosteroid hormone
s-nitrosoglutathione [no description available]	2.03	1	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
cp-55,940 [no description available]	2.44	2	0
vanoxerine vanoxerine dihydrochloride : A hydrochloride salt that is obtained by reaction of vanoxerine with two equivalents of hydrogen chloride. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration.	2.44	2	0	hydrochloride	dopamine uptake inhibitor
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole 1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1H-imidazole: inhibits platelet aggregation & Ca2+ entry into platelets. SKF-96365 free base : An ether that is 2-(1H-imidazol-1-yl)-1-(4-methoxyphenyl)ethanol in which the hydrogen of the hydroxy group has been substituted by a 3-(4-methoxyphenyl)propyl group.	2.05	1	0	ether; imidazoles; monomethoxybenzene	TRP channel blocker
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate: structure given in first source	2.44	2	0	beta-carbolines
beta-carboline-3-carboxylic acid ethyl ester beta-carboline-3-carboxylic acid ethyl ester: isolated from brain tissue & urine; extremely potent displacer of diazepam from brain benzodiazepam receptors; structure in first source	3.48	8	0	beta-carbolines
u 69593 U 69593: selective ligand for opioid K-receptor. U69593 : A monocarboxylic acid amide obtained by formal condensation between the carboxy group of phenylacetic acid and the secodary amino group of (5R,7S,8S)-N-methyl-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-amine.	2.44	2	0	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
u 78517f U 78517F: iron-catalyzed lipid peroxidation inhibitor; structure given in first source; RN given is for diHCl	2.05	1	0
cv 3988 CV 3988: platelet activating factor antagonist; structure given in first source	2.44	2	0
beta-carboline-3-carboxylic acid methyl ester beta-carboline-3-carboxylic acid methyl ester: structure given in first source	3.79	11	0	beta-carbolines
methoctramine methoctramine: structure given in first source. methoctramine : A tetramine that is N,N'-bis(6-aminohexyl)octane-1,8-diamine where the primary amino groups both carry 2-methoxybenzyl substituents.. methoctramine tetrahydrochloride : A hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid.	2.44	2	0	hydrochloride	muscarinic antagonist
dimyristoylphosphatidylglycerol [no description available]	2.07	1	0
hypotaurine [no description available]	2.03	1	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
tryptoline tryptoline: neurotoxic factor that may be involved in development of Parkinson's disease; enzymatic prep from human brain converts tryptamine to tryptoline; RN given refers to parent cpd; structure	3.52	8	0	beta-carbolines
dihydrokainate [no description available]	2.03	1	0	dicarboxylic acid
gabazine [no description available]	2.03	1	0
cl 218872 CL 218872: shows specific action on benzodiazepine receptors; structure	2.03	1	0	pyridazines; ring assembly
betaxolol hydrochloride betaxolol hydrochloride : The hydrochloride salt of betaxolol.	2.44	2	0	hydrochloride	antihypertensive agent; beta-adrenergic antagonist
catechin (+)-catechin monohydrate : The monohydrate of (+)-catechin.	2.03	1	0	hydrate	geroprotector
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine NAN 190 hydrobromide : A hydrobromide obtained by reaction of NAN 190 with one equivalent of hydrobromic acid.	2.44	2	0	hydrobromide	serotonergic antagonist
s-methylthiocitrulline S-methylthiocitrulline: a nitric oxide synthase inhibitor; structure in first source. S-methyl-L-thiocitrulline : An L-arginine derivative in which the guanidino NH2 group of L-arginine is replaced by a methylsufanyl group.	2.03	1	0	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
dihydrocapsaicin [no description available]	2.03	1	0	capsaicinoid
ml 9 [no description available]	2.03	1	0
parthenolide [no description available]	2.44	2	0	germacranolide
s 135 S 135: GABA receptor agonist; structure given in first source	2.04	1	0
3',4'-dichlorobenzamil 3',4'-dichlorobenzamil: inhibits Na-Ca exchange in membrane vesicle & papillary muscle preparations from guinea pig heart	2.44	2	0	guanidines; pyrazines
1-(carboxymethylthio)tetradecane 1-(carboxymethylthio)tetradecane: structure given in first source; alkylthio acetic acid, non-beta-oxidizable	2.03	1	0	straight-chain fatty acid
2-iodomelatonin [no description available]	2.03	1	0	acetamides
arcaine, sulfate [no description available]	2.03	1	0
matairesinol matairesinol: lignan that is a central precursor in plants in the biosynthesis of numerous lignans (coordinate with specific); RN refers to (3R-trans)-isomer. (-)-matairesinol : A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer).	2	1	0	gamma-lactone; lignan; polyphenol	angiogenesis inhibitor; anti-asthmatic agent; phytoestrogen; plant metabolite
gr 113808 GR 113808: structure given in first source; a 5-HT(4) receptor antagonist: GR 125487 is the HCl salt. GR 113808 : An indolyl carboxylate ester obtained by formal condensation between the carboxy group of 1-methylindole-3-carboxylic acid with the hydroxy group of N-{2-[4-(hydroxymethyl)piperidin-1-yl]ethyl}methanesulfonamide.	2.44	2	0	indolyl carboxylate ester; piperidines; sulfonamide	serotonergic antagonist
gallopamil hydrochloride [no description available]	2.44	2	0
gamma-glutamylaminomethylsulfonic acid [no description available]	2.03	1	0
buthionine sulfoximine L-buthionine-(S,R)-sulfoximine : A 2-amino-4-(S-butylsulfonimidoyl)butanoic acid which has S-configuration. It is a inhibitor of gamma-glutamylcysteine synthetase and glutathione (GSH) biosynthesis and is capable of enhancing the apoptotic effects of several chemotherapeutic agents.	2.44	2	0	2-amino-4-(S-butylsulfonimidoyl)butanoic acid	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
sb 204070a SB 204070A: structure given in first source; a selective 5-HT(4) receptor antagonist	2.44	2	0
2-methyltryptoline 2-methyltryptoline: enzymatic preparation from human brain converts methyltyptamine to methyltryptoline; structure	1.98	1	0	beta-carbolines
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine LY 165163: structure given in first source; a serotonin agonist. LY-165163 : A N-arylpiperazine that is piperazine substituted by 2-(4-aminophenyl)ethyl and 3-(trifluoromethyl)phenyl groups at positions 1 and 4, respectively. It is a selective 5-HT1A serotonin receptor agonist and 5-HT1D serotonin receptor antagonist.	2.44	2	0	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist
l 655240 L 655240: thromboxane and prostaglandin endoperoxide receptor antagonist; structure given in first source; RN given is for parent cpd	2.03	1	0	methylindole
1-(4-methoxyphenyl)pyridinium 1-(4-methoxyphenyl)pyridinium: RN given refers to parent cpd	1.98	1	0
san 58035 [no description available]	2.44	2	0
1,3-di(4-imidazolinophenoxyl)propane 1,3-di(4-imidazolinophenoxyl)propane: structure given in first source	1.99	1	0
propyl beta-carboline-3-carboxylate propyl beta-carboline-3-carboxylate: binds specifically to brain benzodiazepine receptors	2.36	2	0	beta-carbolines
mk 912 [no description available]	2.05	1	0
nnc 711 NNC 711: structure in first source	2.03	1	0
n(6)-carboxymethyllysine N(6)-carboxymethyllysine: RN given refers to (L)-isomer; structure given in first source. N(6)-carboxymethyl-L-lysine : An L-lysine derivative with a carboxymethyl substituent at the N(6)-position.	2.25	1	0	L-lysine derivative; non-proteinogenic L-alpha-amino acid	antigen
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide 4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide: a highly-selective, nonpeptide delta opioid receptor agonist; structure given in first source	2.44	2	0	diarylmethane
sk&f 86466 benalfocin: RN & RR given from first source; RN not in Chemline 9/28/83; structure given in first source	2.05	1	0	benzazepine
e 64 E 64: cysteine protease inhibitor of microbial origin, which inhibits cathepsin B (EC 3.4.22.1) and cathepsin L (EC 3.4.22.-)	2.44	2	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
azetidine-2,4-dicarboxylic acid azetidine-2,4-dicarboxylic acid: activates neuronal metabotropic receptors; RN given refers to (trans-isomer); RN for cpd without isomeric designation not avail 10/93	2.03	1	0
3-ethoxy-beta-carboline 3-ethoxy-beta-carboline: high affinity benzodiazepine receptor ligand with partial inverse agonist properties	3.09	5	0
tert-butyl beta-carboline-3-carboxylate tert-butyl beta-carboline-3-carboxylate: benzodiazepine receptor antagonist	3.24	6	0
2,5-dihydroxymethyl-3,4-dihydroxypyrrolidine 2,5-dihydroxymethyl-3,4-dihydroxypyrrolidine: structure given in first source	2.08	1	0	dihydroxypyrrolidine
w 7 [no description available]	2.05	1	0
pre 084 2-(4-morpholino)ethyl-1-phenylcyclohexane-1-carboxylate: structure given in first source	2.44	2	0	morpholines
methotrexate [no description available]	2.44	2	0	dicarboxylic 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
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol 1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol: irreversibly inactivates the dihydroalprenolol binding site; alprenolol analog; isopropylamino group of alprenolol replaced by 8-bromoacetylamino-1-amino-p-menthane moiety in the 1 position; structure given in first source	2.44	2	0
r 79882 R 79882: a non-nucleoside inhibitor of HIV-1 reverse transcriptase; structure given in first source	1.99	1	0
sr 2640 SR 2640: leukotriene D4 and E4 antagonist	2.44	2	0	quinolines
cki 7 N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide: casein kinase I inhibitor; structure given in first source. N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide : A member of the class of isoquinolines that is isoquinoline-8-sulfonamide which is substituted by chlorine at position 5 and in which the sulfonamide nitrogen is substituted by a 2-aminoethyl group. It is an inhibitor of casein kinase I.	2.03	1	0	isoquinolines; organochlorine compound; primary amino compound; sulfonamide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
1-methyl-4-cyclohexyl-1,2,3,6-tetrahydropyridine [no description available]	1.98	1	0
ici 204448 [no description available]	2.03	1	0
butamidine butamidine: RN refers to HCl; structure in first source	1.99	1	0
1-methyl-4-(2'-ethylphenyl)-1,2,3,6-tetrahydropyridine [no description available]	1.98	1	0
1-methyl-4-(methylpyrrol-2-yl)-1,2,3,6-tetrahydropyridine 1-methyl-4-(methylpyrrol-2-yl)-1,2,3,6-tetrahydropyridine: structure given in first source	1.98	1	0
gamma-carboline gamma-carboline: RN given refers to parent cpd; structure given in first source	1.96	1	0	pyridoindole
4-benzyl-1-methyl-1,2,3,6-tetrahydropyridine 4-benzyl-1-methyl-1,2,3,6-tetrahydropyridine: structure given in first source; RN given is for HCl	1.98	1	0
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride 4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride: has high affinity and selectivity for 5-HT3 receptors; structure given in first source	2.03	1	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide N,N-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide: binds with high affinity to glial mitochondrial diazepam binding inhibitor receptors & increases mitochondrial steroidogenesis	2.44	2	0	phenylindole
4-(benzodioxan-5-yl)-1-(indan-2-yl)piperazine [no description available]	2.05	1	0
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan 3,5-bis(trifluoromethyl)benzyl N-acetyltryptophan: structure given in first source; substance P and neurokinin receptor antagonist	2.03	1	0
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine 8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine: structure given in first source	2.44	2	0
l 741626 3-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first source	2.44	2	0	piperidines
nisoxetine hydrochloride [no description available]	2.44	2	0
ng-nitroarginine methyl ester N(gamma)-nitro-L-arginine methyl ester hydrochloride : A hydrochloride obtained by combining N(gamma)-nitro-L-arginine methyl ester with one equivalent of hydrochloric acid.	2.03	1	0	hydrochloride	EC 1.14.13.39 (nitric oxide synthase) inhibitor
tilarginine acetate [no description available]	2.03	1	0
alpha-guanidinoglutaric acid alpha-guanidinoglutaric acid: identified in the convulsive period of cobalt-induced seizures from cat cerebral cortex; RN given for cpd with unspecified guanidino-locant	2.03	1	0	L-glutamic acid derivative
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer [no description available]	2.44	2	0
imidazole-4-acetic acid hydrochloride [no description available]	2.03	1	0
harmalol hydrochloride [no description available]	2	1	0
n-propyl-4-phenyl-1,2,3,6-tetrahydropyridine N-propyl-4-phenyl-1,2,3,6-tetrahydropyridine: structure given in first source	1.98	1	0
nsc-141549 [no description available]	2.44	2	0
2-chloro-2-deoxyglucose [no description available]	2.03	1	0
ruboxistaurin ruboxistaurin: inhibits protein kinase C beta; structure in first source	2.03	1	0
idazoxan hydrochloride [no description available]	2.44	2	0
isoguvacine hydrochloride [no description available]	2.03	1	0
8-methoxymethyl-3-isobutyl-1-methylxanthine 8-methoxymethyl-3-isobutyl-1-methylxanthine: inhibitor of phosphodiesterase I	2.03	1	0	oxopurine
cryptolepine monohydrochloride [no description available]	2.05	1	0
birb 796 [no description available]	2.03	1	0	aromatic ether; morpholines; naphthalenes; pyrazoles; ureas	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator
homonojirimycin homonojirimycin: inhibits alpha-glucosidase; RN given for (2R-(2alpha,3alpha,4beta,5alpha,6beta))-isomer; structure in first source	2.08	1	0
5-hydroxytryptoline 5-hydroxytryptoline: results from the action of an enzymatic preparation from human brain on 5-hydroxytryptamine; structure	1.96	1	0	beta-carbolines	metabolite
cyc 202 seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.	2.94	4	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
Serotonin hydrochloride [no description available]	2.03	1	0	tryptamines
n-phthaloylglutamic acid N-phthaloyl-L-glutamic acid : A glutamic acid derivative that is L-glutamic acid in which the two hydrogens on the amino group are substituted by a phthaloyl group.	2.03	1	0	L-glutamic acid derivative; phthalimides
harmalan harmalan: structure given in first source	3.11	5	0	harmala alkaloid
isolariciresinol isolariciresinol: RN given refers to ((1-S-(1alpha,2beta,3alpha))-isomer); structure given in first source. (+)-isolariciresinol : A lignan that is 5,6,7,8-tetrahydronaphthalen-2-ol substituted by hydroxymethyl groups at positions 6 and 7, a methoxy group at position 3 and a 4-hydroxy-3-methoxyphenyl group at position 8. It has been isolated from the roots of Rubia yunnanensis.	2	1	0	guaiacols; lignan; polyphenol; primary alcohol	plant metabolite
1,3-dipropyl-7-methylxanthine 1,3-dipropyl-7-methylxanthine: structure given in first source	2.03	1	0
ag 3-5 icilin: a cooling compound that activates TRPM8	2.03	1	0	C-nitro compound
n-n-propylnorapomorphine [no description available]	2.03	1	0	aporphine alkaloid
urapidil monohydrochloride [no description available]	2.44	2	0
speciophylline speciophylline: RN refers to (3beta,7alpha,19alpha,20alpha)-isomer; from leaves of Mitragyna inermis (Rubiaceae); structure given in first source	2.03	1	0	indolizines
aminopterin Aminopterin: A folic acid derivative used as a rodenticide that has been shown to be teratogenic.	2.44	2	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
azepexole, dihydrochloride [no description available]	2.03	1	0
2,5-dimethoxy-4-iodoamphetamine hydrochloride [no description available]	2.03	1	0
abt 980 [no description available]	2.44	2	0
campesterol campesterol: RN refers to (3beta,24R)-isomer; structure	2.06	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C28-steroid; phytosterols	mouse metabolite
carboline-3-carboxylic acid [no description available]	1.96	1	0
sk&f 75670 SK&F 75670: RN refers to HBr; N-methyl derivative of SK&F 38393	2.44	2	0
esatenolol esatenolol : The (S)-enantiomer of atenolol.	2.03	1	0	atenolol	beta-adrenergic antagonist
sb 203580 [no description available]	2.03	1	0	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent
nbi 27914 [no description available]	2.44	2	0	dialkylarylamine; tertiary amino compound
sb 216763 [no description available]	2.73	3	0	indoles; maleimides
4-methoxy-1-vinylcarboline [no description available]	2.05	1	0
dizocilpine [no description available]	2.05	1	0	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
(R)-atenolol (R)-atenolol : The (R)-enantiomer of atenolol.	2.03	1	0	atenolol
memantine hydrochloride [no description available]	2.44	2	0	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
pefabloc [no description available]	2.03	1	0
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.	6.98	1	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
pongidae [no description available]	2.44	2	0
succinylproline [no description available]	2.03	1	0	N-acyl-amino acid
sb 205384 SB 205384: structure in first source	2.44	2	0	thienopyridine
hydrastine [no description available]	2.44	2	0	isoquinolines	metabolite
gabaculine hydrochloride [no description available]	2.03	1	0
etiron monohydrobromide [no description available]	2.03	1	0
anabasine Anabasine: A piperidine botanical insecticide.. (S)-anabasine : The (S)-enantiomer of anabasine.. anabasine : A pyridine alkaloid that is pyridine substituted by a piperidin-2-yl group at position 3.	2.31	1	0	anabasine
bmy 7378 [no description available]	2.03	1	0
vesamicol [no description available]	2.03	1	0
2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamide boscalid : A pyridinecarboxamide obtained by formal condensation of the carboxy group of 2-chloronicotinic acid with the amino group of 4'-chlorobiphenyl-2-amine. A fungicide active against a broad range of fungal pathogens including Botrytis spp., Alternaria spp. and Sclerotinia spp. for use on a wide range of crops including fruit, vegetables and ornamentals.	3.51	1	0	anilide fungicide; biphenyls; monochlorobenzenes; pyridinecarboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; environmental contaminant; xenobiotic
sorafenib [no description available]	2.03	1	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
deoxycholic acid Deoxycholic Acid: A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.. deoxycholic acid : A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively.	1.96	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
cortisone [no description available]	2.69	3	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
aspidospermine aspidospermine: an indole fused to a qunoline; isolated from Aspidosperma tree; structure given in first source. aspidospermine : An indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1.	2.04	1	0	indole alkaloid
19-norprogesterone 19-norprogesterone: RN given refers to cpd without isomeric designation	1.99	1	0	corticosteroid hormone
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.	1.99	1	0	17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol	Daphnia magna metabolite; human metabolite
vincristine sulfate [no description available]	2.44	2	0	organic sulfate salt	antineoplastic agent; geroprotector
benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.	2.42	2	0
5-methoxycanthin-6-one 5-methoxycanthin-6-one: isolated from Zanthoxylum chiloperone; structure in first source	2.11	1	0	alkaloid; organic heterotetracyclic compound
n-methylserotonin oxalate salt [no description available]	2.03	1	0
nsc 95397 [no description available]	2.44	2	0	1,4-naphthoquinones
wortmannin [no description available]	2.73	3	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
Amalorin [no description available]	2.11	1	0	alkaloid; organic heterotetracyclic compound
isocryptolepine isocryptolepine: synthetic antimalarial alkaloid; structure in first source	2.05	1	0
neocryptolepine neocryptolepine: isolated from the roots of the African plant Cryptolepis sanguinolenta; structure in first source	2.05	1	0
dihydropyridines Dihydropyridines: Pyridine moieties which are partially saturated by the addition of two hydrogen atoms in any position.	2	1	0
lithium chloride Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator.. lithium chloride : A metal chloride salt with a Li(+) counterion.	2.03	1	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
canavanine L-canavanine : A non-proteinogenic L-alpha-amino acid that is L-homoserine substituted at oxygen with a guanidino (carbamimidamido) group. Although structurally related to L-arginine, it is non-proteinogenic.	2.03	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
5-hydroxytryptophan hydroxytryptophan : A hydroxy-amino acid that is tryptophan substituted by at least one hydroxy group at unspecified position.. 5-hydroxy-L-tryptophan : The L-enantiomer of 5-hydroxytryptophan.	2.03	1	0	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite
ouabain Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus.	2.44	2	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
tosylphenylalanyl chloromethyl ketone Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process.. N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone.	2.03	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
monoiodotyrosine Monoiodotyrosine: A product from the iodination of tyrosine. In the biosynthesis of thyroid hormones (THYROXINE and TRIIODOTHYRONINE), tyrosine is first iodized to monoiodotyrosine.. iodotyrosine : A tyrosine derivative which has at least one iodo-substituent on the benzyl moiety.. monoiodotyrosine : An iodotyrosine carrying a single iodo substituent.. 3-iodo-L-tyrosine : The monoiodotyrosine that is L-tyrosine carrying an iodo-substituent at position C-3 of the benzyl group.	2.03	1	0	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
nitroarginine Nitroarginine: An inhibitor of nitric oxide synthetase which has been shown to prevent glutamate toxicity. Nitroarginine has been experimentally tested for its ability to prevent ammonia toxicity and ammonia-induced alterations in brain energy and ammonia metabolites. (Neurochem Res 1995:200(4):451-6). N(gamma)-nitro-L-arginine : An L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group.	2.03	1	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
willardiine willardiine: isolated from seeds of Acacia willariana; structure. 3-(uracil-1-yl)-L-alanine : The 3-(uracil-1-yl) derivative of L-alanine.	2.03	1	0	amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid
cortodoxone Cortodoxone: 17,21-Dihydroxypregn-4-ene-3,20-dione. A 17-hydroxycorticosteroid with glucocorticoid and anti-inflammatory activities.. 11-deoxycortisol : A deoxycortisol that is cortisol in which the hydroxy group at position 11 has been replaced by a hydrogen.	2.92	4	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
strychnine Strychnine: An alkaloid found in the seeds of STRYCHNOS NUX-VOMICA. It is a competitive antagonist at glycine receptors and thus a convulsant. It has been used as an analeptic, in the treatment of nonketotic hyperglycinemia and sleep apnea, and as a rat poison.. strychnine : A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position.	1.96	1	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
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.	1.98	1	0	cinchona alkaloid	alpha-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
conessine conessine : A steroid alkaloid that is con-5-enine substituted by a N,N-dimethylamino group at position 3. It has been isolated from the plant species of the family Apocynaceae.	2.04	1	0	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite
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.	3.51	1	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
amiodarone hydrochloride [no description available]	2.44	2	0	aromatic ketone
dicyclomine hydrochloride dicyclomine hydrochloride : The hydrochloride salt of dicyclomine. An anticholinergic, it is used to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome.	2.44	2	0	hydrochloride	antispasmodic drug; muscarinic antagonist
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.	2.03	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
nortriptyline hydrochloride [no description available]	2.44	2	0	organic tricyclic compound	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.	2.03	1	0
raubasine ajmalicine : A monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from several Rauvolfia and Catharanthus species. It is a selective alpha1-adrenoceptor antagonist used for the treatment of high blood pressure.	1.98	1	0	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
Dubinidine [no description available]	2.03	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
cyclopamine [no description available]	2.03	1	0	piperidines	glioma-associated oncogene inhibitor
lignans Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)	2.43	2	0
s-(4-azidophenacyl)glutathione S-(4-azidophenacyl)glutathione: photoaffinity label deriv of glutathione; inhibits glyoxalase I (EC 4.4.1.5)	2.03	1	0	peptide
hydroxylamine hydrochloride [no description available]	2.44	2	0	organic molecular entity
sb 228357 SB 228357: a neuroleptic with equivalent or higher antagonist affinity for 5-HT2 than for dopamine D2 receptor	2.44	2	0	indolyl carboxylic acid
3,5-dihydroxyphenylglycine (S)-3,5-dihydroxyphenylglycine : A glycine derivative that is L-alpha-phenylglycine substituted at positions 3 and 5 on the phenyl ring by hydroxy groups.	2.03	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols
actinonin actinonin: natural hydroxamic acid, pseudopeptide antibiotic isolated from Streptomyces species; structure	2.44	2	0
validamycin a validamycin A : A member of the class of validamycins that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which the hydroxy group at position 1 has been converted to its beta-D-glucoside and in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. It is the major validamycin produced by Streptomyces hygroscopicus.	3.51	1	0	antibiotic fungicide; polyol; secondary amino compound; validamycins	antifungal agrochemical; EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor; EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor; EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor
doxorubicin hydrochloride [no description available]	3.41	1	0	anthracycline
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	2.44	2	0	alkaloid	geroprotector
dihydroergocristine monomesylate dihydroergocristine mesylate : The methanesulfonic acid salt of dihydroergocristine. It has been used as the for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. It is also a component of ergoloid mesylate (codergocrine mesilate), a mixture of ergot alkaloid derivatives that is used as a vasodilator and has shown mild benefits in the treatment of vascular dementia.	2.44	2	0	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	2.78	3	0	cyclodextrin
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.	2.44	2	0	retinoic 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
resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration.	2.44	2	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
oleic acid Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.	2.03	1	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
pectins Pectins: High molecular weight polysaccharides present in the cell walls of all plants. Pectins cement cell walls together. They are used as emulsifiers and stabilizers in the food industry. They have been tried for a variety of therapeutic uses including as antidiarrheals, where they are now generally considered ineffective, and in the treatment of hypercholesterolemia.. alpha-D-galacturonic acid : The alpha-anomer of D-galacturonic acid.	2.03	1	0	D-galactopyranuronic acid
thapsigargin Thapsigargin: A sesquiterpene lactone found in roots of THAPSIA. It inhibits SARCOPLASMIC RETICULUM CALCIUM-TRANSPORTING ATPASES.. thapsigargin : An organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations.	2.44	2	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
brivudine brivudine: anti-herpes agent	2.03	1	0
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol 5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol: estrogen receptor ligand; structure in first source. (R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol : A carbotetracyclic compound that is 5,6,11,12-tetrahydrochrysene substituted by hydroxy groups at positions 2 and 8 and by ethyl groups at positions 5 and 11 (the 5R,11R-stereoisomer). It is an agonist of ER-alpha and antagonist of ER-beta receptors.	2.44	2	0	carbotetracyclic compound; polyphenol	estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid 2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid: structure in first source	2.03	1	0
n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea N-(4-methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-yl)urea: structure in first source	2.03	1	0
y 27632 Y 27632: RN given for di-HCl salt; inhibits Rho-associated protein kinase; inhibits calcium sensitization to affect smooth muscle relaxation; structure in first source. Y-27632 : A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme.	2.03	1	0	aromatic amide
h 1152 (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane : A member of the class of isoquinolines that is the sulfonamide formed by the formal condensation of the sulfo group of 4-methylisoquinoline-5-sulfonic acid with the 1-amino group of (S)-2-methyl-1,4-diazepane.	2.03	1	0	isoquinolines; N-sulfonyldiazepane	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
adenosine-5'-(n-ethylcarboxamide) Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity.. N-ethyl-5'-carboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group.	2.03	1	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
6-bromoindirubin-3'-oxime 6-bromoindirubin-3'-oxime: structure in first source. 6-bromoindirubin-3'-oxime : A member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime.	2.05	1	0
L-cycloserine L-cycloserine : A 4-amino-1,2-oxazolidin-3-one that has S configuration. An antibiotic isolated from Erwinia uredovora.	2.03	1	0	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
h 89 N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source. N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor.. (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration.	2.44	2	0	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid, (s)-isomer lycoperodine-1: from Cirsium setosum; structure in first source	2.05	1	0
1,4-dideoxy-1,4-imino-d-arabinitol [no description available]	2.03	1	0
ketoconazole (2R,4S)-ketoconazole : A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration.	3.51	1	0	cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
purvalanol a 6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer;	2.44	2	0	purvalanol
wr-142,490 (+)-(11R,2'S)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (+)-(11R,2'S)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.	2.05	1	0	[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol	antimalarial
diclazuril [no description available]	1.98	1	0	nitrile
gamma-sitosterol clionasterol : A member of the class of phytosterols that is poriferast-5-ene carrying a beta-hydroxy substituent at position 3.	2.06	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols	marine metabolite; plant metabolite
melphalan Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.. melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.	2.44	2	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
N-ethylharmine N-ethylharmine : A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a ethyl group at position 9, methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.	2.41	2	0	aromatic ether; beta-carbolines; semisynthetic derivative	anti-HIV agent
2-methyl-1H-pyrimido[1,2-a]benzimidazol-4-one [no description available]	2.41	2	0	benzimidazoles
3-chlorodibenzofuran 3-chlorodibenzofuran: structure given in first source	1.99	1	0
ar-c239 AR-C239: structure given in first source; alpha(2B)-selective adrenoreceptor	2.08	1	0	piperazines
tolfenamic acid tolfenamic acid: structure. tolfenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 3-chloro-2-methylphenyl group. Tolfenamic acid is used specifically for relieving the pain of migraine. It also shows anticancer activity.	2.05	1	0	aminobenzoic acid; organochlorine compound; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
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.	2.05	1	0	sinapic acid	MALDI matrix material; plant metabolite
piperine piperine : A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum.	2.04	1	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
Methyl nigakinone 4,5-dimethoxycanthin-6-one: an active metabolite of Picrasma quassiodes; structure in first source	2.11	1	0	beta-carbolines
isoliquiritigenin [no description available]	2.44	2	0	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
1-acetyl-beta-carboline 1-acetyl-beta-carboline: structure in first source	2.11	1	0	harmala alkaloid	metabolite
rauwolscine Rauwolscine: A stereoisomer of yohimbine.	2.03	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gw9662 2-chloro-5-nitrobenzanilide: pretreatment of peroxisome proliferator activated receptors with GW9662 results in the irreversible loss of ligand binding	2.44	2	0	benzamides
calmidazolium calmidazolium chloride : The organic choride salt of calmidazolium.	2.44	2	0	organic chloride salt	apoptosis inducer; calmodulin antagonist
tropisetron hydrochloride [no description available]	2.44	2	0
Reactive blue 2 [no description available]	2.03	1	0	anthraquinone
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one 5,6-dichloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one: stimulates Cl- secretion in the mouse jejunum	2.03	1	0	dichlorobenzene
quinidine sulfate [no description available]	2.44	2	0
ipratropium bromide anhydrous [no description available]	2.03	1	0
methamilane methiodide [no description available]	2.03	1	0
pilocarpine nitrate [no description available]	2.03	1	0
r 59949 R 59949: diacylglycerol kinase inhibitor	2.44	2	0	diarylmethane
n(6)-cyclopentyladenosine [no description available]	2.44	2	0
methylatropine nitrate [no description available]	2.03	1	0
sb 366791 N-(3-methoxyphenyl)-4-chlorocinnamanilide: a TRPV1 antagonist; structure in first source	2.44	2	0
ag-213 tyrphostin 47: inhibits protein-tyrosine kinase activity of EGF-R both in vitro and in living cells;	2.44	2	0
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.	2.44	2	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
bemesetron [no description available]	2.44	2	0
(S)-(-)-pindolol [no description available]	2.03	1	0	pindolol
levosulpiride (S)-(-)-sulpiride : An optically active form of sulpiride having (S)-configuration. The active enantiomer of the racemic drug sulpiride. Selective D2-like dopamine antagonist (Ki values are ~ 0.015. ~ 0.013, 1, ~ 45 and ~ 77 muM at D2, D3, D4, D1 and D5 receptors respectively).	2.03	1	0	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
caffeic acid trans-caffeic acid : The trans-isomer of caffeic acid.	2.03	1	0	caffeic acid	geroprotector; mouse metabolite
4-fluorophenyl-L-alanine 4-fluorophenyl-L-alanine : A L-phenylalanine derivative that is L-phenylalanine in which the hydrogen at position 4 on the benzene ring is replaced by a fluoro group.	2.44	2	0	4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid
phenylthiazolylthiourea Phenylthiazolylthiourea: A dopamine-beta-hydroxylase inhibitor.	2.05	1	0
methyl isoquinoline-3-carboxylate [no description available]	1.96	1	0	isoquinolines
lobeline [no description available]	1.98	1	0
urocanic acid Urocanic Acid: 4-Imidazoleacrylic acid.. urocanic acid : An alpha,beta-unsaturated monocarboxylic acid that is prop-2-enoic acid substituted by a 1H-imidazol-4-yl group at position 3. It is a metabolite of hidtidine.. trans-urocanic acid : A urocanic acid in which the double bond of the carboxyethene moiety has E configuration.	2.03	1	0	urocanic acid	human metabolite
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) [no description available]	2.05	1	0	benzimidazoles
cotinine Cotinine: The N-glucuronide conjugate of cotinine is a major urinary metabolite of NICOTINE. It thus serves as a biomarker of exposure to tobacco SMOKING. It has CNS stimulating properties.. (-)-cotinine : An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.	2.77	3	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
Src Inhibitor-1 Src Inhibitor-1 : A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases.	2.03	1	0	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
cinnarizine Cinnarizine: A piperazine derivative having histamine H1-receptor and calcium-channel blocking activity with vasodilating and antiemetic properties but it induces PARKINSONIAN DISORDERS.	2.44	2	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
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.	2.03	1	0	monocarboxylic 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
cysteine sulfinic acid 3-sulfino-L-alanine : The organosulfinic acid arising from oxidation of the sulfhydryl group of L-cysteine.	2.03	1	0	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
d-ap7 [no description available]	2.03	1	0
tg 003 TG 003: a Clk inhibitor; structure in first source	2.05	1	0
thiobarbituric acid thiobarbituric acid: RN given refers to parent cpd. 2-thiobarbituric acid : A barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur.	1.97	1	0	barbiturates	allergen; reagent
(1R,2S)-tranylcypromine hydrochloride (1R,2S)-tranylcypromine hydrochloride : A hydrochloride obtained by combining (1R,2S)-tranylcypromine with one equivalent of hydrochloric acid.	2.44	2	0	hydrochloride
tacrine hydrochloride [no description available]	2.44	2	0
thiosemicarbazide thiosemicarbazide: glutamate decarboxylase antagonist; structure given in first source. hydrazinecarbothioamide : A member of the class of thioureas that is thiourea in which a hydrogen of one of the amino groups is replaced by an amino group.	6.96	1	0	hydrazines; thiocarboxamide; thioureas
4-bromotetramisole, oxalate (1:1), salt(s)-isomer [no description available]	2.44	2	0
3-hydroxybenzylhydrazine hydrochloride [no description available]	2.44	2	0
1-(3-chlorophenyl)biguanide hydrochloride [no description available]	2.44	2	0
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer [no description available]	2.03	1	0
capsazepine capsazepine: modified capsaicin molecule; a capsaicin receptor antagonist. capsazepine : A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist.	2.44	2	0	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
diphenyleneiodium chloride dibenziodolium chloride : An organic chloride salt having dibenziodolium as the counterion.	2.44	2	0	organic chloride salt	EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist
azetidine-2,4-dicarboxylic acid, (cis)-isomer [no description available]	2.03	1	0
tamoxifen citrate [no description available]	2.44	2	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
pimagedine hydrochloride [no description available]	2.03	1	0
Betaine Aldehyde Chloride [no description available]	2.03	1	0	quaternary ammonium salt
sc 514 SC 514: inhibits IkappaB kinase-2; structure in first source	2.03	1	0	ring assembly; thiophenes
eskazine [no description available]	2.44	2	0
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene BRL-50481 : A C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM).	2.05	1	0	C-nitro compound; sulfonamide; toluenes	bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector
monastrol monastrol: stops mitosis by fostering formation of monopolar spindles; structure in first source. (S)-monastrol : An ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate that has S configuration.. monastrol : A racemate comprising equimolar amounts of R- and S-monastrol.. ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate : A member of the class of thioureas that is 3,4-dihydropyrimidine-2(1)-thione substituted by a 3-hydroxyphenyl group at position 4, an ethoxycarbonyl group at position 5, and a methyl group at position 6.	2.03	1	0	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor
fusidic acid Fusidic Acid: An antibiotic isolated from the fermentation broth of Fusidium coccineum. (From Merck Index, 11th ed). It acts by inhibiting translocation during protein synthesis.. fusidic acid : A steroid antibiotic that is isolated from the fermentation broth of Fusidium coccineum.	2.05	1	0	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
r 82150 R 82150: structure given in first source; inhibits HIV-1 replication	1.99	1	0
r 86183 [no description available]	1.99	1	0
u 0126 U 0126: protein kinase kinase inhibitor; structure in first source	2.73	3	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
4-diphenylacetoxy-n-methylpiperidine methiodide 4-DAMP methiodide : A quaternary ammonium salt obtained by combining equimolar amounts of 4-diphenylacetoxy-N-methylpiperidine and iodomethane.	2.44	2	0	iodide salt; quaternary ammonium salt	cholinergic antagonist; muscarinic antagonist
zineb Zineb: An agricultural fungicide of the dithiocarbamate class. It has relatively low toxicity and there is little evidence of human injury from exposure.. zineb : A polymeric complex of zinc with the ethylene bis(dithiocarbamate) anionic ligand. Formerly used as an agricultural fungicide for the control of downy mildews and rusts, its use is no longer permitted in the US or the EU.	2	1	0	dithiocarbamate salt; macromolecule; zinc coordination entity	antifungal agrochemical
maneb Maneb: Manganese derivative of ethylenebisdithiocarbamate. It is used in agriculture as a fungicide and has been shown to cause irritation to the eyes, nose, skin, and throat.. maneb : A polymeric complex of manganese with the ethylene bis(dithiocarbamate) anionic ligand. An agrochemical fungicide, it is used to control a variety of diseases including blight, leaf spot, rust, downy mildew and scab.	2	1	0
quinine [no description available]	2.41	2	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
azoxystrobin azoxystrobin: a methoxyacrylate analog; a strobilurin fungicide; structure given in first source. azoxystrobin : An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture.	3.51	1	0	aryloxypyrimidine; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; methyl ester; nitrile	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor; xenobiotic
1-(4-hydroxybenzyl)imidazole-2-thiol 1-(4-hydroxybenzyl)imidazole-2-thiol: RN & structure given in first source; RN not in Chemline 3/87	2.41	2	0
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide 2-chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide: structure given in first source	2.44	2	0
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.	2.05	1	0	benzazepine
bp 897 BP 897: a dopamine D3 receptor agonist; structure in first source	2.44	2	0	naphthalenecarboxamide
trequinsin hydrochloride [no description available]	2.44	2	0
neboglamine neboglamine: potential memory enhancer	2.03	1	0
7-epi-hydroxystaurosporine [no description available]	2.03	1	0
2-(2-benzofuranyl)-2-imidazoline 2-(2-benzofuranyl)-2-imidazoline: structure given in first source	2.03	1	0	benzofurans
cytellin cytellin: a phytosterol preparation of mainly B-sitosterol, that was marketed by Eli Lilly to lower cholesterol 1957 to 1982	2.4	2	0
benzatropine methanesulfonate benzatropine mesylate : The methanesulfonate salt of benzatropine. An acetylcholine receptor antagonist, it is used in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments.	2.44	2	0
sb 203186 [no description available]	2.03	1	0	indolyl carboxylic acid
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a 5-HT(2B) receptor antagonist; structure given in first source. 1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea : A member of ther class of ureas that is urea in which a hydrogen attached to one of the nitrogens has been replaced by an N-methylindol-5-yl group, while a hydrogen attached to the other nitrogen has been replaced by a 3-methyl-1,2-thiazol-5-yl group. It is a potent and selective antagonist for the 5-hydroxytryptamine 2B (5-HT2B) receptor.	2.44	2	0	1,2-thiazoles; indoles; ureas	receptor modulator; serotonergic antagonist
gw 7647 GW 7647: a PPAR-alpha agonist; structure in first source. GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group.	2.44	2	0	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
ro 41-0960 [no description available]	2.44	2	0
cgp 13501 CGP 13501: structure in first source	2.03	1	0	alkylbenzene
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide: dopamine D4 ligand; structure in first source	2.44	2	0
l 663536 MK-886: orally active leukotriene biosynthesis inhibitor. 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid : A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase.	2.05	1	0	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist
brl 15572 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol : An N-alkylpiperazine that is 1-(3-chlorophenyl)piperazine carrying a 3,3-diphenyl-2-hydroxyprop-1-yl group at position 4. A selective h5-HT1D antagonist, displaying 60-fold selectivity over h5-HT1B, and exhibiting little or no affinity for a range of other receptor types.	2.44	2	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist
mrs 1523 2,3-diethyl-4,5-dipropyl-6-phenylpyridine-3-thiocarboxylate-5-carboxylate: adenosine A3 receptor antagonist	2.44	2	0
or486 OR486: structure given in first source	2.03	1	0
fg 9041 FG 9041: structure given in first source	2.44	2	0	quinoxaline derivative
iik7 IIK7: structure in first source	2.03	1	0
sb 415286 3-(3-chloro-4-hydroxyphenylamino)-4-(4-nitrophenyl)-1H-pyrrole-2,5-dione: a glycogen synthase kinase-3 inhibitor; structure in first source	2.73	3	0	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
dm 235 DM 235: structure in first source	2.44	2	0
jhw 015 [no description available]	2.44	2	0	indolecarboxamide
bw 723c86 [no description available]	2.44	2	0	tryptamines
sc 560 SC560 : A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-methoxyphenyl, trifluoromethyl and 4-chlorophenyl groups, respectively. Unlike many members of the diaryl heterocycle class of cyclooxygenase (COX) inhibitors, SC-560 is selective for COX-1.	2.44	2	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
sc-19220 [no description available]	2.03	1	0	aromatic ether
le 300 [no description available]	2.44	2	0	indoles
ly 367265 LY 367265: a 5-hydroxytryptamine transporter inhibitor; a 5-HT(2A) receptor antagonist; structure in first source. LY-367,265 : A fluoroindole that is 1H-indole in which the hydrogens at positions 3 and 6 are replaced by 1-[2-(2,2-dioxo-5,6-dihydro-4H-2lambda(6)-[1,2,5]thiadiazolo[4,3,2-ij]quinolin-1(2H)-yl)ethyl]-1,2,3,6-tetrahydropyridin-4-yl and fluoro groups, respectively. It is an inhibitor of the 5-hydroxytryptamine transporter (Ki = 2.3 nM) and an antagonist of 5-hydroxytryptamine(2A) receptor (Ki = 0.81 nM).	2.44	2	0	dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline	antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor
3-propoxy-beta-carboline 3-propoxy-beta-carboline: structure in first source	3.09	5	0
alsterpaullone alsterpaullone: structure in first source. alsterpaullone : An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole.	2.03	1	0	C-nitro compound; caprolactams; organic heterotetracyclic compound	anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) 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.	2.44	2	0	organic sodium salt
cgp 7930 2,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol: structure in first source	2.44	2	0	alkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole 4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol : A pyrazole that is 1H-pyrazole bearing three 4-hydroxyphenyl substituents at positions 1, 3 and 5 as well as a propyl substituent at position 4. Potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM); displays 410-fold selectivity for ERalpha over ERbeta. Prevents ovariectomy-induced weight gain and loss of bone mineral density, and induces gene expression in the hypothalamus following systemic administration in vivo.	2.44	2	0	phenols; pyrazoles	estrogen receptor agonist
1-tert-butyl-3-naphthalen-1-ylmethyl-1h-pyrazolo(3,4-d)pyrimidin-4-ylemine [no description available]	2.03	1	0	pyrazolopyrimidine	tyrosine kinase inhibitor
sib 1757 SIB 1757: a selective mGluR5 antagonist; structure in first source	2.44	2	0
sphingosine sphing-4-enine : A sphingenine in which the C=C double bond is located at the 4-position.. sphingenine : A 2-aminooctadecene-1,3-diol having (2S,3R)-configuration.. sphingoid : Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds.. 2-aminooctadec-4-ene-1,3-diol : A 2-aminooctadecene-1,3-diol having its double bond at position 4.	2.03	1	0	sphing-4-enine	human metabolite; mouse metabolite
quercetin [no description available]	3.16	1	0	7-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
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.	2.73	3	0	trihydroxyflavone	antineoplastic agent; metabolite
luteolin [no description available]	2.03	1	0	3'-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
coniferaldehyde coniferaldehyde: from aqueous extract of Senra incana. coniferyl aldehyde : A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3.	2.06	1	0	cinnamaldehydes; guaiacols; phenylpropanoid	antifungal agent; plant metabolite
daphnetin [no description available]	2.44	2	0	hydroxycoumarin
harmine Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.. harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.	14.49	259	3	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
genistein [no description available]	2.03	1	0	7-hydroxyisoflavones	antineoplastic 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.	2.52	2	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
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.	2.44	2	0	11beta-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
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.	2.44	2	0	maleate salt	anti-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.	2.44	2	0	maleate salt	anti-allergic agent
chlorpheniramine maleate [no description available]	2.44	2	0	organic 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.	2.44	2	0	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate [no description available]	2.44	2	0	ergoline alkaloid	geroprotector
astaxanthine astaxanthine: a keto form of carotene; pigment in flesh of Scottish salmon (Salmo salar) crustacoa-lobster (Homarus gammarus, flamingo feathers; structure; a carotenoid without vitamin A activity, has shown anti-oxidant and anti-inflammatory activities. astaxanthin : A carotenone that consists of beta,beta-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in animals (crustaceans, echinoderms) but also occurring in plants. It can occur free (as a red pigment), as an ester, or as a blue, brown or green chromoprotein.	2.44	2	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
apigenin dimethylether apigenin dimethylether: a dimethoxy analog of apigenin from roots of Rhus undulata and possibly other plants. apigenin 7,4'-dimethyl ether : A dimethoxyflavone that is the 7,4'-dimethyl ether derivative of apigenin.	2.04	1	0	dimethoxyflavone; monohydroxyflavone	plant metabolite
morin morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria). morin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5.	2.03	1	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
myricetin [no description available]	2.44	2	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
daidzein [no description available]	2.03	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
caffeic acid phenethyl ester phenethyl caffeate : An alkyl caffeate ester in which 2-phenylethyl is the alkyl component.	2.44	2	0	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
rottlerin rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);. rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis.	2.73	3	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
flupenthixol cis-flupenthixol : A flupenthixol in which the double bond adopts a cis-configuration.	2.03	1	0	flupenthixol	dopaminergic antagonist
n-oleoyldopamine N-oleoyldopamine: putative capsaicin receptor ligand; produces hyperalgesia; isolated from the brain. N-oleoyldopamine : A fatty amide resulting from the formal condensation of the carboxy group of oleic acid with the amino group of dopamine. Synthesised in catecholaminergic neurons, it crosses the blood-brain barrier and might be considered as a carrier of dopamine into the brain. It is a transient receptor potential vanilloid type 1 (TRPV1) receptor agonist.	2.44	2	0	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist
pheniramine maleate Naphcon A: tradename; contains above compounds; ophthalmic solution	2.44	2	0	organic molecular entity
tranilast tranilast: antiallergic drug; potent inhibitor of homologous passive cutaneous anaphylaxis. tranilast : An amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 3,4-dimethoxycinnamoyl group.	2.44	2	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
trimipramine maleate [no description available]	2.44	2	0	maleate salt	antidepressant
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.	2.73	3	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
xylometazoline hydrochloride [no description available]	2.44	2	0
flunarizine hydrochloride [no description available]	2.44	2	0	diarylmethane
ketotifen fumarate ketotifen fumarate : An organoammonium salt consisting of equimolar amounts of ketotifen(1+) and fumarate(1-) ions. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is a non-bronchodilator anti-asthmatic drug.	2.44	2	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
cis-flupenthixol dihydrochloride cis-flupenthixol dihydrochloride : The dihydrochloride salt of cis-flupenthixol.	2.44	2	0	hydrochloride	geroprotector
n-arachidonylglycine N-arachidonylglycine: structure in first source. N-arachidonoylglycine : Biologically active derivative of anandamide	2.44	2	0	fatty amide; N-acylglycine
n-oleoylethanolamine N-oleoylethanolamine: ceramidase inhibitor. oleoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide.	2.44	2	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
cyclosporine ramihyphin A: one of the metabolites produced by Fusarium sp. S-435; RN given refers to cpd with unknown MF	2.44	2	0	homodetic cyclic peptide	anti-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]	2.44	2	0	organic molecular entity
phenylephrine hydrochloride Nose: A part of the upper respiratory tract. It contains the organ of SMELL. The term includes the external nose, the nasal cavity, and the PARANASAL SINUSES.. phenylephrine hydrochloride : A hydrochloride that is the monohydrochloride salt of phenylephrine.	2.03	1	0	hydrochloride
mepyramine maleate histosol: proprietary mixture of synthetic aromatic hydrocarbons forming an extremely nonpolar organic solvent	2.44	2	0
3-amino-1,4-dimethyl-5h-pyrido(4,3-b)indole 3-amino-1,4-dimethyl-5H-pyrido(4,3-b)indole: structure	5.41	7	0	pyridoindole
3-amino-1-methyl-5h-pyrido(4,3-b)indole 3-amino-1-methyl-5H-pyrido(4,3-b)indole: structure	4.69	3	0	pyridoindole
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.	7.42	2	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
sirolimus Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties.. sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.	2.03	1	0	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
brefeldin a [no description available]	2.44	2	0	macrolide antibiotic	Penicillium metabolite
fenretinide Fenretinide: A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent.. 4-hydroxyphenyl retinamide : A retinoid obtained by formal condensation of the carboxy group of all-trans retinoic acid and the anilino group of 4-hydroxyaniline. Synthetic retinoid agonist. Antiproliferative, antioxidant and anticancer agent with a long half-life in vivo. Apoptotic effects appear to be mediated by a mechanism distinct from that of 'classical' retinoids.	2.44	2	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
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.	7.01	1	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
su 9516 [no description available]	2.05	1	0
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid: RN refers to (E)-isomer; structure given in first source. arotinoid acid : A retinoid that consists of benzoic acid substituted at position 4 by a 2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl group. It is a synthetic retinoid that acts as a selective agonist for the retinoic acid receptors (RAR).	2.44	2	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent
l-2-(carboxypropyl)glycine [no description available]	2.03	1	0
4-aminocrotonic acid [no description available]	2.03	1	0
denopamine denopamine: structure given in first source	2.03	1	0	dimethoxybenzene
l 655,708 [no description available]	2.44	2	0
mdl 100907 Serotonin 5-HT2 Receptor Antagonists: Drugs that bind to but do not activate SEROTONIN 5-HT2 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT2 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more specific 5-HT2 receptor subtypes.	2.15	1	0
ml 10302 2-piperidinoethyl 4-amino-5-chloro-2-methoxybenzoate: structure in first source	2.05	1	0
ro 41-1049 Ro 41-1049: structure given in first source	2.72	3	0
sb 200646a [no description available]	2.44	2	0
seglitide seglitide: more potent than somatostatin for inhibition of insulin, glucagon & growth hormone release; used experimentally in treatment of Alzheimer's disease; somatostatin receptor antagonist	2.03	1	0
sib 1893 SIB 1893: a selective mGluR5 antagonist; structure in first source	2.03	1	0
su 6656 SU 6656: a c-Src kinase inhibitor; used to probe growth signaling; structure in first source. SU6656 : A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase.	2.73	3	0
kukoamine a kukoamine A: inhibits Crithidia fasciculata trypanothione reductase; structure given in first source	2.04	1	0	amine
dehydrocrenatidine dehydrocrenatidine: a janus kinase inhibitor; structure in first source	2.11	1	0
nigakinone nigakinone: an NSAID that may be useful in treating ulcerative colitis; structure in first source	2.11	1	0	beta-carbolines
1-Ethyl-9H-pyrido[3,4-b]indole [no description available]	3.51	8	0	harmala alkaloid
ag 538 AG 538: an IGF-1 receptor kinase inhibitor; structure in first source	2.05	1	0
tyrphostin ag 555 [no description available]	2.44	2	0
tyrphostin ag-494 AG 494: tyrphostin that blocks Cdk2 activation; structure in first source	2.03	1	0
tyrphostin b44 tyrphostin B44: inhibits protein kinases; an analog of tyrphostin B46; B44(+) is B50, and is the stereoisomer of B44(-)	2.44	2	0
ag-490 [no description available]	2.44	2	0	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
ag 112 [no description available]	2.44	2	0
ag 183 AG 183: structure given in first source	2.44	2	0
semaxinib semaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group.	2.44	2	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
orantinib orantinib: an antiangiogenic agent. orantinib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.	2.03	1	0
lead Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb.	7.45	2	0	carbon group element atom; elemental lead; metal atom	neurotoxin
3-hydroxymethyl-beta-carboline 3-hydroxymethyl-beta-carboline: antagonizes anticonvulsant & anxiolytic actions of diazepam at doses which do not elicit overt behavioral effects in mice	2.37	2	0	beta-carbolines
8-(3-chlorostyryl)caffeine 8-(3-chlorostyryl)caffeine: adenosine antagonist. 8-(3-chlorostyryl)caffeine : Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.	2.44	2	0	monochlorobenzenes; trimethylxanthine	adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085 BAY11-7085 : A sulfone that is benzene substituted by [(E)-2-cyanoethenyl]sulfonyl and tert-butyl groups at position 1 and 4, respectively. It is an irreversible inhibitor of IkappaB-alpha phosphorylation in cells (IC50 = 10 muM) and prevents the activation of NF-kappaB.	2.44	2	0	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
bw b70c BW B70C: arachidonic acid antagonist. BW B70C : A hydroxamic acid that is urea in which both the hydrogens attached to one of the nitrogens are replaced by a hydroxy and a (1E)-1-[3-(4-fluorophenoxy)phenyl]but-1-en-3-yl group. A selective inhibitor of arachidonate 5-lipoxygenase, it can be used for the treatment of asthma.	2.05	1	0	aromatic ether; hydroxamic acid; organofluorine compound; ureas	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
molsidomine [no description available]	2.03	1	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
diamide Diamide: A sulfhydryl reagent which oxidizes sulfhydryl groups to the disulfide form. It is a radiation-sensitizing agent of anoxic bacterial and mammalian cells.	2.03	1	0	1,1'-azobis(N,N-dimethylformamide)
nomifensine maleate [no description available]	2.44	2	0
nalbuphine hydrochloride [no description available]	2.44	2	0	hydrochloride
isoalloxazine isoalloxazine: structure	2.03	1	0	benzo[g]pteridine-2,4-dione
beta-carboline-1-propionic acid [no description available]	2.11	1	0	harmala alkaloid
vinblastine sulfate [no description available]	2.44	2	0
1-methyl-beta-carboline-3-carboxylic acid 1-methyl-beta-carboline-3-carboxylic acid: metabolite from cows fed with corn silage; structure in first source	3.69	2	0
n-methylscopolamine bromide scopolamine methobromide : A quaternary ammonium salt resulting from the reaction of the amino group of scopolamine with methyl bromide.	2.03	1	0
dimyristoylphosphatidylcholine 1,2-di-O-myristoyl-sn-glycero-3-phosphocholine : A 1,2-diacyl-sn-glycero-3-phosphocholine where the two phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).. dimyristoyl phosphatidylcholine : A phosphatidylcholine where the phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).	2.07	1	0	1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester	antigen; mouse metabolite
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	3.51	1	1	cysteinium	fundamental metabolite
dextromethorphan hydrobromide dextromethorphan hydrobromide : The hydrobromide and monohydrate of the antitussive drug dextromethorphan.	2.44	2	0	hydrate; hydrobromide
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source	2.01	1	0
naloxone hydrochloride naloxone hydrochloride : A hydrochloride resulting from the formal reaction of equimolar amounts of naloxone and hydrogen chloride. A specific opioid antagonist, it is used to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.	2.03	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
s-trans,trans-farnesylthiosalicylic acid farnesylthiosalicylic acid: structure in first source	2.44	2	0	sesquiterpenoid
sulindac sulfone sulindac sulfone: inhibits K-ras-dependent cyclooxygenase-2; sulfated analog of indomethacin;; CP248 is an antineoplastic agent that fosters microtubule depolymerization; structure in first source. sulindac sulfone : A sulfone metabolite of sulindac that inhibits cell growth by inducing apoptosis independently of cyclooxygenase inhibition. It inhibits the development and induces regression of premalignant adenomatous polyps. Lipoxygenase and Cox-2 inhibitor.	2.03	1	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
cinanserin Cinanserin: A serotonin antagonist with limited antihistaminic, anticholinergic, and immunosuppressive activity.. cinanserin : An aryl sulfide that is (2E)-3-phenyl-N-(2-sulfanylphenyl)prop-2-enamide in which the hydrogen of the thiol group is substituted by a 3-(dimethylamino)propyl group. It is a 5-hydroxytryptamine receptor antagonist and an inhibitor of SARS-CoV replication.	2.15	1	0	aryl sulfide; cinnamamides; secondary carboxamide; tertiary amino compound	anticoronaviral agent; antiviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
naltrexone hydrochloride naltrexone hydrochloride : A hydrochloride obtained by reaction of oxycodone with one molar equivalent of hydrochloric acid. it is a mu-opioid receptor antagonist that is used to treat alcohol dependence.	2.44	2	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
vx680 [no description available]	2.03	1	0	N-arylpiperazine
guanabenz acetate [no description available]	2.44	2	0	dichlorobenzene	geroprotector
nylidrin hydrochloride [no description available]	2.44	2	0	alkylbenzene
triprolidine hydrochloride anhydrous triprolidine hydrochloride (anh.) : A hydrochloride resulting from the formal reaction of equimolar amounts of triprolidine and hydrogen chloride. Its monohydrate is used for the symptomatic relief of uticaria, rhinitis, and various pruritic skin disorders.	2.44	2	0	hydrochloride	H1-receptor antagonist
famotidine [no description available]	2.03	1	0	1,3-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.	2.03	1	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
tiapridex Tiapride Hydrochloride: A benzamide derivative that is used as a dopamine antagonist.	2.03	1	0	benzamides
quipazine maleate [no description available]	2.44	2	0
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride Ro 16-6491: structure given in first source	2.03	1	0
tulobuterol hydrochloride [no description available]	2.44	2	0	organic molecular entity
hp 029 [no description available]	2.44	2	0
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide [no description available]	2.03	1	0
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one 6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2H-pyran-2-one: structure given in first source; potent irreversible, mechanism-based inhibitor of myocardial calcium-independent phospholipase A2	2.44	2	0	naphthalenes
nf023 [no description available]	2.03	1	0
nf 449 [no description available]	2.44	2	0
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine [no description available]	2.44	2	0
gr 46611 GR 46611: known to lower body temperature in guinea pigs	2.03	1	0
mastoparan [no description available]	1.99	1	0	mastoparans; peptidyl amide	antimicrobial agent
diacetylmonoxime diacetylmonoxime: used diagnostically for determining urea in blood; structure; myosin ATPase antagonist. diacetylmonoxime : A ketoxime obtained via formal condensation of butane-2,3-dione with hydroxylamine. It is a reversible myosin ATPase inhibitor.	2.03	1	0
d 4476 [no description available]	2.03	1	0	imidazoles
homatropine hydrobromide, (endo-(+-)-isomer) [no description available]	2.44	2	0
vancomycin hydrochloride [no description available]	2.03	1	0
moxisylyte hydrochloride [no description available]	2.03	1	0	monoterpenoid
dizocilpine maleate Dizocilpine Maleate: A potent noncompetitive antagonist of the NMDA receptor (RECEPTORS, N-METHYL-D-ASPARTATE) used mainly as a research tool. The drug has been considered for the wide variety of neurodegenerative conditions or disorders in which NMDA receptors may play an important role. Its use has been primarily limited to animal and tissue experiments because of its psychotropic effects.. dizocilpine maleate : A maleate salt obtained by reaction of dizocilpine with one equivalent of maleic acid.	2.44	2	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
beta-aminopropionitrile fumarate beta-aminopropionitrile fumarate: RN given refers to unspecified fumarate	2.03	1	0
mg 624 triethyl-(beta-4-stilbenoxyethyl)ammonium: inhibits alpha7 nicotinic receptors; structure in first source	2.05	1	0
flupirtine [no description available]	2.44	2	0
zimelidine hydrochloride [no description available]	2.44	2	0
pregna-4,17-diene-3,16-dione, (17z)-isomer [no description available]	2.44	2	0
su 4312 SU4312 : A member of the class of oxindoles that is 3-methyleneoxindole in which one of the hydrogens of the methylene group has been replaced by a p-(dimethylamino)phenyl group. SU 4312 is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity.	2.44	2	0
gw 1929 GW 1929: activates peroxisome proliferator-activated receptor-gamma; structure in first source	2.44	2	0	benzophenones
protriptyline hydrochloride [no description available]	2.44	2	0	hydrochloride	antidepressant
n(4)-chloroacetylcytosine arabinoside [no description available]	2.03	1	0
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide [no description available]	2.44	2	0
n-(4-amino-2-chlorophenyl)phthalimide N-(4-amino-2-chlorophenyl)phthalimide: has anticonvulsant activity; structure in first source	2.03	1	0
cb 34 CB 34: ligand for peripheral benzodiazepine receptors; structure in first source	2.03	1	0
b 43 RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively).	2.44	2	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol [no description available]	2.03	1	0	aporphine alkaloid
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol [no description available]	2.03	1	0	aporphine alkaloid
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane 3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane: structure in first source	2.03	1	0
2-(3,3-diphenylpropylamino)acetamide [no description available]	2.44	2	0	diarylmethane
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide 4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide: structure given in first source	2.03	1	0
gw2974 GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2	2.03	1	0	pyridopyrimidine
l 162313 L 162313: a biphenylimidazole derivative; a non-peptide angiotensin agonist; no further information available 2/95	2.44	2	0
l-165041 4-(3-(2-propyl-3-hydroxy-4-acetyl)phenoxy)propyloxyphenoxy acetic acid: a PPAR-delta agonist has regulatory effects on a variety of adipokines, and these effects might explain some of their metabolic function.	2.03	1	0	aromatic ketone
mrs 1754 [no description available]	2.03	1	0	oxopurine
s-nitroso-n-acetylpenicillamine S-Nitroso-N-Acetylpenicillamine: A sulfur-containing alkyl thionitrite that is one of the NITRIC OXIDE DONORS.	2.03	1	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
pd 404182 [no description available]	2.03	1	0
5-(4-phenylbutoxy)psoralen 5-(4-phenylbutoxy)psoralen: structure in first source. psora 4 : A member of the class of psoralens that is psoralen substituted by a 4-phenylbutoxy group at position 5. It is a potent inhibitor of the voltage-gated potassium channel Kv1.3 (EC50 = 3 nM).	2.05	1	0	aromatic ether; benzenes; psoralens	geroprotector; immunosuppressive agent; potassium channel blocker
sb 222200 [no description available]	2.44	2	0	quinolines
dantrolene sodium dantrolene sodium (anhydrous) : The anhydrous sodium salt of dantrolene.	2.44	2	0
cr 2945 CR 2945: a member of non-peptide CCKB receptor antagonist	2.44	2	0
sb 218795 SB 218795: structure in first source	2.44	2	0	quinolines
dihydroceramide N-acetylsphinganine : A dihydroceramide in which the ceramide acyl group is specified as acetyl.	2.03	1	0	N-acylsphinganine
nifurtimox Nifurtimox: A nitrofuran thiazine that has been used against TRYPANOSOMIASIS.	2	1	0	nitrofuran antibiotic
epinephrine bitartrate [no description available]	2.44	2	0
bicuculline methobromide [no description available]	2.44	2	0
butylscopolammonium bromide Butylscopolammonium Bromide: Antimuscarinic quaternary ammonium derivative of scopolamine used to treat cramps in gastrointestinal, urinary, uterine, and biliary tracts, and to facilitate radiologic visualization of the gastrointestinal tract.	2.03	1	0
butaclamol hydrochloride [no description available]	2.44	2	0
a 38503 [no description available]	2.44	2	0
bisoprolol, fumarate (1:1) salt [no description available]	2.05	1	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide [no description available]	2.03	1	0
sk&f 89976-a [no description available]	2.03	1	0
cv 1808 2-phenylaminoadenosine: has coronary & cardiohemodynamic effects	2.44	2	0	purine nucleoside
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate hydrochloride [no description available]	2.05	1	0
pd 184352 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first source	2.03	1	0	aminobenzoic acid
fluvoxamine maleate [no description available]	2.44	2	0	(trifluoromethyl)benzenes
naloxone benzoylhydrazone [no description available]	2.44	2	0
2-methyl-6-(phenylethynyl)pyridine hydrochloride 2-methyl-6-(phenylethynyl)pyridine hydrochloride : A hydrochloride salt obtained by reaction of 2-methyl-6-(phenylethynyl)pyridine with one equivalent of hydrochloric acid. Potent and highly selective non-competitive antagonist at the mGlu5 receptor subtype (IC50 = 36 nM) and a positive allosteric modulator at mGlu4 receptors. Centrally active following systemic administration in vivo. Reverses mechanical hyperalgesia in the inflamed rat hind paw.	2.44	2	0	hydrochloride	anxiolytic drug; metabotropic glutamate receptor antagonist
amiprilose [no description available]	2.03	1	0
(R)-fluoxetine hydrochloride (R)-fluoxetine hydrochloride : A hydrochloride obtained by reaction of (R)-fluoxetine with one equivalent of hydrochloric acid.	2.44	2	0	hydrochloride	antidepressant; serotonin uptake inhibitor
ro 8-4304 [no description available]	2.05	1	0
bms345541 4(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first source	2.03	1	0	quinoxaline derivative
pd 0325901 mirdametinib: has antineoplastic activity; appears to be a MEK inhibitor. PD 0325901 : A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer).	2.03	1	0	difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound	antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
sincalide Sincalide: An octapeptide hormone present in the intestine and brain. When secreted from the gastric mucosa, it stimulates the release of bile from the gallbladder and digestive enzymes from the pancreas.	2.36	2	0	oligopeptide
desmethylselegiline hydrochloride [no description available]	2.03	1	0
3-morpholino-sydnonimine monohydrochloride [no description available]	2.44	2	0
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	2.1	1	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
t 1032 T 1032: a cyclic GMP phosphodiesterase-5 inhibitor; structure in first source	2.44	2	0
9-methoxycanthin-6-one 9-methoxycanthin-6-one: from roots of Eurycoma longifolia (Simaroubaceae). 9-methoxycanthin-6-one : An indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines.	2.11	1	0	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite
qx-314 bromide [no description available]	2.03	1	0
(S)-fluoxetine hydrochloride (S)-fluoxetine hydrochloride : A hydrochloride obtained by reaction of (S)-fluoxetine with one equivalent of hydrochloric acid.	2.44	2	0	hydrochloride	antidepressant; serotonin uptake inhibitor
pi103 PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first soruce	2.03	1	0	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
sr 59230a 3-(2-ethylphenoxy)-1-(1,2,3,4-tetrahydronaphth-1-ylamino)-2-propanol oxalate: structure given in first source	2.44	2	0
u 74389g [no description available]	2.44	2	0
1-(2-methoxyphenyl)piperazine hydrochloride [no description available]	2.44	2	0
y 27632, dihydrochloride, (4(r)-trans)-isomer [no description available]	2.03	1	0
sb 203186 [no description available]	2.05	1	0
noscapine hydrochloride [no description available]	2.44	2	0
ps1145 PS1145: IkappaB kinase inhibitor; structure in first source	2.03	1	0	beta-carbolines
a 77636 (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride : A hydrochloride salt obtained by mixing equimolar amounts of (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol with hydrochloric acid. Potent and selective dopamine D1-like receptor agonist (pEC50 values are 8.97 and < 5 for D1-like and D2-like receptors respectively). Displays anti-Parkinsonian activity following oral administration in vivo.	2.44	2	0	hydrochloride	antiparkinson drug; dopamine agonist
chir 99021 Chir 99021: structure in first source. CHIR 99021 : A member of the class of aminopyrimidines that is 2-aminopyrimidine substituted at positions N2, 5 and 6 by (5-cyanopyridin-2-yl)ethyl, 4-methylimidazol-2-yl and 2,4-dichlorophenyl groups respectively.	2.03	1	0	aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor
cgp 20712a CGP 20712A: structure given in first source; CGP 26505, a beta1-selective beta-adrenoceptor antagonist, is the (S)-isomer of CGP 20712A	2.44	2	0
680c91 680C91 : A fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration). It is a selective inhibitor of tryptophan 2,3-dioxygenase (TDO), which directs the conversion of trypophan to kynurenin.	2.41	1	0	fluoroindole; olefinic compound; pyridines	EC 1.13.11.11 (tryptophan 2,3-dioxygenase) inhibitor
bx795 BX795: structure in first source	2.03	1	0	ureas
levodopa methyl ester hydrochloride [no description available]	2.44	2	0
a 443654 A 443654: an Akt kinase inhibitor; structure in first source	2.03	1	0	indoles
benalfocin hydrochloride [no description available]	2.03	1	0
lu 19005 [no description available]	2.44	2	0
eudistomin u eudistomin U: an alkaloid from the Carribean ascidian Lissoclinum fragile; structure given in first source	8.95	3	0
benoxathian hydrochloride [no description available]	2.44	2	0
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer [no description available]	2.44	2	0
sk&f 102698 [no description available]	1.99	1	0
n-cyclopropyl adenosine-5'-carboxamide [no description available]	2.03	1	0
sl0101 SL0101: p90 Ribosomal S6 Kinase; structure in first source	2.03	1	0
cefotaxime sodium [no description available]	2.48	2	0	organic sodium salt
calpain inhibitor iii calpain inhibitor III: potential anticataract drug	2.44	2	0
GR 127935 hydrochloride GR 127935 hydrochloride : A hydrochloride obtained by reaction of GR 127935 with one equivalent of hydrochloric acid. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration.	2.44	2	0	hydrochloride	serotonergic antagonist
dorsomorphin dorsomorphin: an AMPK inhibitor. dorsomorphin : A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine which is substituted at positions 3 and 6 by pyridin-4-yl and p-[2-(piperidin-1-yl)ethoxy]phenyl groups, respectively. It is a potent, selective, reversible, and ATP-competitive inhibitor of AMPK (AMP-activated protein kinase, EC 2.7.11.31) and a selective inhibitor of bone morphogenetic protein (BMP) signaling.	2.03	1	0	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
mrs 1845 [no description available]	2.44	2	0
cgp 57380 CGP 57380: inhibits the mitogen-activated protein kinase-interacting kinase Mnk1	2.03	1	0	pyrazolopyrimidine
1-aminocyclopropane-1-carboxylic acid hydrochloride [no description available]	2.44	2	0
alaproclate hydrochloride [no description available]	2.44	2	0
ubenimex [no description available]	2.44	2	0	peptide
3-chloroalanine hydrochloride, (l-ala)-isomer [no description available]	2.03	1	0
dsp 4 hydrochloride [no description available]	2.44	2	0
calcimycin Calcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems.	2.44	2	0	benzoxazole
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride : A hydrochloride salt that is obtained by reaction of N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine with one equivalent of hydrogen chloride. An alpha1A-adrenergic selective antagonist.	2.44	2	0	hydrochloride	alpha-adrenergic antagonist
2-cyclooctyl-2-hydroxyethylamine hydrochloride [no description available]	2.44	2	0
cirazoline monohydrochloride [no description available]	2.44	2	0
adtn [no description available]	2.44	2	0
apocodeine hydrochloride, (r)-isomer [no description available]	2.44	2	0
2-hydroxyapomorphine, (r)-isomer [no description available]	2.05	1	0
Dihydro-beta-erythroidine hydrobromide [no description available]	2.03	1	0	indoles
lilly 78335 [no description available]	2.44	2	0
efaroxan hydrochloride [no description available]	2.44	2	0
fenoldopam hydrobromide [no description available]	2.44	2	0
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride : A hydrochloride salt that is obtained by reaction of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine with two equivalents of hydrogen chloride. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes).	2.44	2	0	hydrochloride	dopamine uptake inhibitor
guvacine hydrochloride [no description available]	2.03	1	0
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide [no description available]	2.44	2	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer, [no description available]	2.44	2	0	organic molecular entity
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one LY-310762 hydrochloride : A hydrochloride resulting from the formal reation of equimolar amount of LY-310762 with hydrogen chloride. A potent and selective antagonist for the 5-hydroxytryptamine 1D (5-HT1D) receptor.	2.44	2	0	hydrochloride	receptor modulator; serotonergic antagonist
4-iodoclonidine [no description available]	2.44	2	0
4-methylpyrazole monohydrochloride [no description available]	2.03	1	0
tele-methylhistamine [no description available]	2.03	1	0
alpha-methyltyrosine methyl ester, monohydrochloride [no description available]	2.44	2	0
octoclothepine maleate [no description available]	2.44	2	0
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride [no description available]	2.44	2	0
du 24565 [no description available]	2.44	2	0
2-methoxyidazoxan hydrochloride [no description available]	2.44	2	0
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide : A hydrobromide salt prepared from N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol and one equivalent of hydrogen bromide. Dopamine D1-like receptor partial agonist (Ki values are 1.18, 7.56, 920 and 399 nM for rat D1, D5, D2 and D3 receptors respectively). May act as an antagonist in vivo, producing anti-Parkinsonian effects and antagonising the behavioral effects of cocaine.	2.05	1	0	hydrobromide	dopamine agonist; prodrug
ro 25-6981 [no description available]	2.44	2	0
sk&f 77434 N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide : A hydrobromide salt prepared from N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol and one equivalent of hydrogen bromide. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo.	2.44	2	0	hydrobromide	dopamine agonist; prodrug
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea [no description available]	2.44	2	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
demethylcantharidin demethylcantharidin: has antineoplastic activity; structure in first source	2.44	2	0
phytosterols Phytosterols: A class of organic compounds known as sterols or STEROIDS derived from plants.. phytosterols : Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond.	2.06	1	0
(-)-pinoresinol (-)-pinoresinol : An enantiomer of pinoresinol having (-)-1R,3aS,4R,6aS-configuration.	2	1	0	pinoresinol	plant metabolite
atropine sulfate [no description available]	2.44	2	0
erythrosine Erythrosine: A tetraiodofluorescein used as a red coloring in some foods (cherries, fish), as a disclosure of DENTAL PLAQUE, and as a stain of some cell types. It has structural similarity to THYROXINE.. erythrosin B : An organic sodium salt that is the disodium salt of 2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-8a,10a-dihydroxanthen-9-yl)benzoic acid.	1.97	1	0
1-deoxynojirimycin hydrochloride [no description available]	2.03	1	0
lyoniside lyoniside: see also eleutherosides & syringin for eleutheroside B: 118-34-3; RN given refers to (3beta)-isomer	1.96	1	0
win 62577 [no description available]	2.44	2	0
imidazoleacetic acid ribotide imidazoleacetic acid ribotide: metabolite of imidazole acetic acid	2.01	1	0	imidazoles; monocarboxylic acid; N-glycosyl compound; ribose monophosphate
cholecystokinin Cholecystokinin: A peptide, of about 33 amino acids, secreted by the upper INTESTINAL MUCOSA and also found in the central nervous system. It causes gallbladder contraction, release of pancreatic exocrine (or digestive) enzymes, and affects other gastrointestinal functions. Cholecystokinin may be the mediator of satiety.	7.36	2	0
ceruletide Ceruletide: A specific decapeptide obtained from the skin of Hila caerulea, an Australian amphibian. Caerulein is similar in action and composition to CHOLECYSTOKININ. It stimulates gastric, biliary, and pancreatic secretion; and certain smooth muscle. It is used in paralytic ileus and as diagnostic aid in pancreatic malfunction.. ceruletide : A decapeptide comprising 5-oxoprolyl, glutamyl, aspartyl, O-sulfotyrosyl, threonyl, glycyl, tryptopyl, methionyl, aspartyl and phenylalaninamide residues in sequence. Found in the skins of certain Australian amphibians, it is an analogue of the gastrointestinal peptide hormone cholecystokinin and stimulates gastric, biliary, and pancreatic secretion. It is used in cases of paralysis of the intestine (paralytic ileus) and as a diagnostic aid in pancreatic malfunction.	2.36	2	0	oligopeptide	diagnostic agent; gastrointestinal drug
quinine sulfate [no description available]	2.44	2	0	hydrate
quercetin [no description available]	2.44	2	0
rv 538, (r-(r,r))-isomer [no description available]	2.44	2	0
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer [no description available]	2.44	2	0
valproate sodium Epilim: oral sodium valproate used as antidepressive agent. sodium valproate : The sodium salt of valproic acid.. valproate : A branched-chain saturated fatty acid anion that is the conjugate base of valproic acid.	2.03	1	0	organic sodium salt	geroprotector
pinoresinol pinoresinol: in plants; a furo[3,4-c]furan created from dimer of coniferyl alcohol. pinoresinol : A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan substituted at positions 1 and 4 by 4-hydroxy-3-methoxyphenyl groups.	2.06	1	0
u 63557a [no description available]	2.03	1	0
ampicillin sodium [no description available]	2.17	1	0	organic sodium salt
sodium hypochlorite Sodium Hypochlorite: It is used as an oxidizing and bleaching agent and as a disinfectant. (From Grant & Hackh's Chemical Dictionary, 5th ed). sodium hypochlorite : An inorganic sodium salt in which hypochlorite is the counterion. It is used as a bleaching and disinfecting agent and is commonly found in household bleach.	7	1	0	inorganic sodium salt	bleaching agent; disinfectant
taurocholic acid, monosodium salt [no description available]	2.44	2	0	bile salt
cefmetazole sodium cefmetazole sodium : An organic sodium salt that is the sodium salt of cefmetazole.	2.03	1	0	organic sodium salt	antimicrobial agent
sodium nitrite Sodium Nitrite: Nitrous acid sodium salt. Used in many industrial processes, in meat curing, coloring, and preserving, and as a reagent in ANALYTICAL CHEMISTRY TECHNIQUES. It is used therapeutically as an antidote in cyanide poisoning. The compound is toxic and mutagenic and will react in vivo with secondary or tertiary amines thereby producing highly carcinogenic nitrosamines.. sodium nitrite : An inorganic sodium salt having nitrite as the counterion. Used as a food preservative and antidote to cyanide poisoning.	2.02	1	0	inorganic sodium salt; nitrite salt	antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison
fusidate sodium [no description available]	2.44	2	0
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.	2.03	1	0	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin [no description available]	2.03	1	0	organic sodium salt
cefazolin sodium cefazolin sodium : A cephalosporin organic sodium salt having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups.	2.44	2	0	organic sodium salt
5-hydroxydecanoic acid, monosodium salt [no description available]	2.03	1	0
ro13-9904 Ceftriaxone: A broad-spectrum cephalosporin antibiotic and cefotaxime derivative with a very long half-life and high penetrability to meninges, eyes and inner ears.. ceftriaxone : A third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups.	2.03	1	0
phenytoin sodium [no description available]	2.03	1	0
cr 1409 lorglumide sodium : A racemate comprising equal amounts of (R)- and (S)-lorglumide sodium.	2.03	1	0
cortisol succinate, sodium salt hydrocortisone hemisuccinate: RN given refers to (11beta)-isomer; Synonyms Solu-Cortef & sopolcort H refer to Na salt	2.44	2	0	organic molecular entity
picrotoxin Picrotoxin: A noncompetitive antagonist at GABA-A receptors and thus a convulsant. Picrotoxin blocks the GAMMA-AMINOBUTYRIC ACID-activated chloride ionophore. Although it is most often used as a research tool, it has been used as a CNS stimulant and an antidote in poisoning by CNS depressants, especially the barbiturates.. picrotoxin : A mixture consisting of equimolar amounts of picrotoxinin and picrotin found in the climbing plant Anamirta cocculus.	1.97	1	0
bi d1870 [no description available]	2.03	1	0
heme Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron.	2.1	1	0
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.	2.1	1	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
piroxicam [no description available]	2.44	2	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
lfm a13 LFM-A13 : An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the amino group of 2,5-dibromoaniline. It is a dual-function inhibitor of Bruton's tyrosine kinase (BTK) and Polo-like kinases (PLK) that exhibits anticancer properties.	2.03	1	0	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor
rk 682 [no description available]	2.11	1	0
l 701324 L 701324: a glycine/NMDA receptor antagonist	2.03	1	0	quinolines
hispidin hispidin: metabolite of Basidiomycete Polyporus hispidus. hispidin : Fungal metabolite first found in basidiomycete Inonotus hispidus (formerly Polyporus hispidus).	2.44	2	0	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite
minocycline hydrochloride [no description available]	2.44	2	0
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.	2.44	2	0
ajmaline [no description available]	2.04	1	0
akt-i-1,2 compound Akt-I-1,2 compound: an aminopeptidase P inhibitor; structure in first source	2.03	1	0
acyclovir Acyclovir: A GUANOSINE analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes.. acyclovir : An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections.	2.03	1	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
sepiapterin sepiapterin: A substrate of sepiapterin reductase	2.03	1	0	sepiapterin
inosine [no description available]	3.06	1	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
isoxanthopterin [no description available]	2.03	1	0	dihydroxypteridine
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.	2.44	2	0	benzodiazepine; 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
ganciclovir [no description available]	2.03	1	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
zaprinast zaprinast: anaphylaxis inhibitor; structure	2.44	2	0	triazolopyrimidines
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.	2.03	1	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
thiolactomycin thiolactomycin: from actinomycetes; structure given in first source	2.03	1	0
2,4-diaminohypoxanthine 2,4-diaminohypoxanthine: do not confuse abbreviation DAHP with various dehydro-deoxy-arabino-heptulosonic acid phosphates which also use DAHP; RN given refers to parent cpd; structure	2.03	1	0	hydroxypyrimidine
quazinone [no description available]	2.03	1	0
8-bromocyclic gmp, sodium salt sodium 8-bromo-3',5'-cyclic GMP : An organic sodium salt having 8-bromoguanosine 3',5'-cyclic phosphate as the counterion. A membrane permeable cGMP analogue that activates protein kinase G (PKG). It is 4.3-fold more potent than cGMP in activating PKG1alpha and promotes relaxation of tracheal and vascular smooth muscle tissue in vitro.	2.44	2	0	organic sodium salt	muscle relaxant; protein kinase G agonist
ag-879 AG-879: structure given in first source	2.44	2	0

Condition	Relationship Strength	Studies	Trials
Benign Neoplasms [description not available]	5	6	0
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.	5	6	0
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	4.03	5	0
Leukemia P388 An experimental lymphocytic leukemia originally induced in DBA/2 mice by painting with methylcholanthrene.	2.05	1	0
Encephalitis, JC Polyomavirus [description not available]	2.05	1	0
Leukoencephalopathy, Progressive Multifocal An opportunistic viral infection of the central nervous system associated with conditions that impair cell-mediated immunity (e.g., ACQUIRED IMMUNODEFICIENCY SYNDROME and other IMMUNOLOGIC DEFICIENCY SYNDROMES; HEMATOLOGIC NEOPLASMS; IMMUNOSUPPRESSION; and COLLAGEN DISEASES). The causative organism is JC Polyomavirus (JC VIRUS) which primarily affects oligodendrocytes, resulting in multiple areas of demyelination. Clinical manifestations include DEMENTIA; ATAXIA; visual disturbances; and other focal neurologic deficits, generally progressing to a vegetative state within 6 months. (From Joynt, Clinical Neurology, 1996, Ch26, pp36-7)	2.05	1	0
Innate Inflammatory Response [description not available]	2.05	1	0
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.	2.05	1	0
Blood Clot [description not available]	2.06	1	0
Thrombosis Formation and development of a thrombus or blood clot in the blood vessel.	2.06	1	0
Plasmodium falciparum Malaria [description not available]	2.1	1	0
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.	2.1	1	0
Anemia, Fanconi [description not available]	2.13	1	0
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)	2.13	1	0
Contact Dermatitis [description not available]	2.21	1	0
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	3.39	6	0
Itching [description not available]	2.21	1	0
Dermatitis, Contact A type of acute or chronic skin reaction in which sensitivity is manifested by reactivity to materials or substances coming in contact with the skin. It may involve allergic or non-allergic mechanisms.	2.21	1	0
Pruritus An intense itching sensation that produces the urge to rub or scratch the skin to obtain relief.	2.21	1	0
Congenital Zika Syndrome [description not available]	2.25	1	0
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.	2.25	1	0
Fungal Diseases [description not available]	3.33	1	0
Mycoses Diseases caused by FUNGI.	3.33	1	0
Benign Essential Tremor [description not available]	6.97	16	0
Essential Tremor A relatively common disorder characterized by a fairly specific pattern of tremors which are most prominent in the upper extremities and neck, inducing titubations of the head. The tremor is usually mild, but when severe may be disabling. An autosomal dominant pattern of inheritance may occur in some families (i.e., familial tremor). (Mov Disord 1988;13(1):5-10)	6.97	16	0
Malignant Melanoma [description not available]	2.25	1	0
Cancer of Skin [description not available]	2.25	1	0
Melanoma A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)	7.25	1	0
Skin Neoplasms Tumors or cancer of the SKIN.	2.25	1	0
Degenerative Diseases, Central Nervous System [description not available]	3.55	2	0
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.	3.55	2	0
Autosomal Dominant Juvenile Parkinson Disease [description not available]	2.25	1	0
Parkinsonian Disorders A group of disorders which feature impaired motor control characterized by bradykinesia, MUSCLE RIGIDITY; TREMOR; and postural instability. Parkinsonian diseases are generally divided into primary parkinsonism (see PARKINSON DISEASE), secondary parkinsonism (see PARKINSON DISEASE, SECONDARY) and inherited forms. These conditions are associated with dysfunction of dopaminergic or closely related motor integration neuronal pathways in the BASAL GANGLIA.	2.25	1	0
Anxiety Feelings or emotions of dread, apprehension, and impending disaster but not disabling as with ANXIETY DISORDERS.	3.28	6	0
Age-Related Memory Disorders [description not available]	3.06	4	0
Memory Disorders Disturbances in registering an impression, in the retention of an acquired impression, or in the recall of an impression. Memory impairments are associated with DEMENTIA; CRANIOCEREBRAL TRAUMA; ENCEPHALITIS; ALCOHOLISM (see also ALCOHOL AMNESTIC DISORDER); SCHIZOPHRENIA; and other conditions.	3.06	4	0
Atherosclerotic Parkinsonism [description not available]	2.17	1	0
Parkinson Disease, Secondary Conditions which feature clinical manifestations resembling primary Parkinson disease that are caused by a known or suspected condition. Examples include parkinsonism caused by vascular injury, drugs, trauma, toxin exposure, neoplasms, infections and degenerative or hereditary conditions. Clinical features may include bradykinesia, rigidity, parkinsonian gait, and masked facies. In general, tremor is less prominent in secondary parkinsonism than in the primary form. (From Joynt, Clinical Neurology, 1998, Ch38, pp39-42)	2.17	1	0
Nerve Degeneration Loss of functional activity and trophic degeneration of nerve axons and their terminal arborizations following the destruction of their cells of origin or interruption of their continuity with these cells. The pathology is characteristic of neurodegenerative diseases. Often the process of nerve degeneration is studied in research on neuroanatomical localization and correlation of the neurophysiology of neural pathways.	2.17	1	0
Amnesia-Memory Loss [description not available]	3.01	4	0
Amnesia Pathologic partial or complete loss of the ability to recall past experiences (AMNESIA, RETROGRADE) or to form new memories (AMNESIA, ANTEROGRADE). This condition may be of organic or psychologic origin. Organic forms of amnesia are usually associated with dysfunction of the DIENCEPHALON or HIPPOCAMPUS. (From Adams et al., Principles of Neurology, 6th ed, pp426-7)	3.01	4	0
Academic Disorder, Developmental [description not available]	2.52	2	0
Learning Disabilities Conditions characterized by a significant discrepancy between an individual's perceived level of intellect and their ability to acquire new language and other cognitive skills. These may result from organic or psychological conditions. Relatively common subtypes include DYSLEXIA, DYSCALCULIA, and DYSGRAPHIA.	2.52	2	0
Inadequate Sleep [description not available]	2.21	1	0
Idiopathic Parkinson Disease [description not available]	3.86	4	0
Parkinson Disease A progressive, degenerative neurologic disease characterized by a TREMOR that is maximal at rest, retropulsion (i.e. a tendency to fall backwards), rigidity, stooped posture, slowness of voluntary movements, and a masklike facial expression. Pathologic features include loss of melanin containing neurons in the substantia nigra and other pigmented nuclei of the brainstem. LEWY BODIES are present in the substantia nigra and locus coeruleus but may also be found in a related condition (LEWY BODY DISEASE, DIFFUSE) characterized by dementia in combination with varying degrees of parkinsonism. (Adams et al., Principles of Neurology, 6th ed, p1059, pp1067-75)	3.86	4	0
Depression Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders.	5.25	4	1
Bacterial Disease [description not available]	2.08	1	0
Bacterial Infections Infections by bacteria, general or unspecified.	2.08	1	0
Dystonia An attitude or posture due to the co-contraction of agonists and antagonist muscles in one region of the body. It most often affects the large axial muscles of the trunk and limb girdles. Conditions which feature persistent or recurrent episodes of dystonia as a primary manifestation of disease are referred to as DYSTONIC DISORDERS. (Adams et al., Principles of Neurology, 6th ed, p77)	7.1	1	0
Smoking Cessation Discontinuing the habit of SMOKING.	3.51	1	1
Diathesis [description not available]	2.96	1	0
Cognition Disorders Disorders characterized by disturbances in mental processes related to learning, thinking, reasoning, and judgment.	3.36	2	0
Poisoning, Lead [description not available]	2.96	1	0
Lead Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of LEAD or lead compounds.	2.96	1	0
Action Tremor [description not available]	2.67	3	0
Tremor Cyclical movement of a body part that can represent either a physiologic process or a manifestation of disease. Intention or action tremor, a common manifestation of CEREBELLAR DISEASES, is aggravated by movement. In contrast, resting tremor is maximal when there is no attempt at voluntary movement, and occurs as a relatively frequent manifestation of PARKINSON DISEASE.	7.67	3	0
Anxiety Neuroses [description not available]	2.98	1	0
Depression, Endogenous [description not available]	2.98	1	0
Anxiety Disorders Persistent and disabling ANXIETY.	2.98	1	0
Depressive Disorder An affective disorder manifested by either a dysphoric mood or loss of interest or pleasure in usual activities. The mood disturbance is prominent and relatively persistent.	2.98	1	0
Drug Withdrawal Symptoms [description not available]	4.49	5	1
Nicotine Addiction [description not available]	4.75	2	1
Substance Withdrawal Syndrome Physiological and psychological symptoms associated with withdrawal from the use of a drug after prolonged administration or habituation. The concept includes withdrawal from smoking or drinking, as well as withdrawal from an administered drug.	4.49	5	1
Tobacco Use Disorder Tobacco used to the detriment of a person's health or social functioning. Tobacco dependence is included.	4.75	2	1
Encephalopathy, Toxic [description not available]	3	1	0
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	2.68	3	0
Morphine Abuse [description not available]	2.42	2	0
Morphine Dependence Strong dependence, both physiological and emotional, upon morphine.	2.42	2	0
Ache [description not available]	2.38	2	0
Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.	7.38	2	0
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.	2.7	3	0
Aura [description not available]	2.01	1	0
Absence Seizure [description not available]	3.22	6	0
Epilepsy A disorder characterized by recurrent episodes of paroxysmal brain dysfunction due to a sudden, disorderly, and excessive neuronal discharge. Epilepsy classification systems are generally based upon: (1) clinical features of the seizure episodes (e.g., motor seizure), (2) etiology (e.g., post-traumatic), (3) anatomic site of seizure origin (e.g., frontal lobe seizure), (4) tendency to spread to other structures in the brain, and (5) temporal patterns (e.g., nocturnal epilepsy). (From Adams et al., Principles of Neurology, 6th ed, p313)	7.01	1	0
Seizures Clinical or subclinical disturbances of cortical function due to a sudden, abnormal, excessive, and disorganized discharge of brain cells. Clinical manifestations include abnormal motor, sensory and psychic phenomena. Recurrent seizures are usually referred to as EPILEPSY or seizure disorder.	8.22	6	0
Experimental Hepatoma [description not available]	2.02	1	0
Weight Gain Increase in BODY WEIGHT over existing weight.	2.02	1	0
Acquired Metabolic Diseases, Brain [description not available]	2.94	1	0
Genetic Predisposition [description not available]	2.04	1	0
Cerebellar Diseases Diseases that affect the structure or function of the cerebellum. Cardinal manifestations of cerebellar dysfunction include dysmetria, GAIT ATAXIA, and MUSCLE HYPOTONIA.	2.04	1	0
Behavior Disorders [description not available]	2.87	1	0
Nervous System Disorders [description not available]	2.87	1	0
Mental Disorders Psychiatric illness or diseases manifested by breakdowns in the adaptational process expressed primarily as abnormalities of thought, feeling, and behavior producing either distress or impairment of function.	2.87	1	0
Nervous System Diseases Diseases of the central and peripheral nervous system. This includes disorders of the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscle.	2.87	1	0
Ptosis, Eyelid [description not available]	1.96	1	0
Blepharoptosis Drooping of the upper lid due to deficient development or paralysis of the levator palpebrae muscle.	1.96	1	0
Dementia Praecox [description not available]	1.96	1	0
Schizophrenia A severe emotional disorder of psychotic depth characteristically marked by a retreat from reality with delusion formation, HALLUCINATIONS, emotional disharmony, and regressive behavior.	1.96	1	0
Breast Cancer [description not available]	3.29	2	0
Cancer of Colon [description not available]	2.88	1	0
Cancer of Head [description not available]	2.88	1	0
Cancer of Prostate [description not available]	2.88	1	0
Breast Neoplasms Tumors or cancer of the human BREAST.	3.29	2	0
Colonic Neoplasms Tumors or cancer of the COLON.	2.88	1	0
Head and Neck Neoplasms Soft tissue tumors or cancer arising from the mucosal surfaces of the LIP; oral cavity; PHARYNX; LARYNX; and cervical esophagus. Other sites included are the NOSE and PARANASAL SINUSES; SALIVARY GLANDS; THYROID GLAND and PARATHYROID GLANDS; and MELANOMA and non-melanoma skin cancers of the head and neck. (from Holland et al., Cancer Medicine, 4th ed, p1651)	2.88	1	0
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	2.88	1	0
Abnormalities, Autosome [description not available]	2.38	2	0
Neoplasms, Otorhinolaryngologic [description not available]	1.98	1	0
Alcohol Abuse [description not available]	4.28	7	0
Cancer of Esophagus [description not available]	1.98	1	0
Complication, Postoperative [description not available]	1.98	1	0
Alcoholism A primary, chronic disease with genetic, psychosocial, and environmental factors influencing its development and manifestations. The disease is often progressive and fatal. It is characterized by impaired control over drinking, preoccupation with the drug alcohol, use of alcohol despite adverse consequences, and distortions in thinking, most notably denial. Each of these symptoms may be continuous or periodic. (Morse & Flavin for the Joint Commission of the National Council on Alcoholism and Drug Dependence and the American Society of Addiction Medicine to Study the Definition and Criteria for the Diagnosis of Alcoholism: in JAMA 1992;268:1012-4)	9.28	7	0
Esophageal Neoplasms Tumors or cancer of the ESOPHAGUS.	1.98	1	0
Postoperative Complications Pathologic processes that affect patients after a surgical procedure. They may or may not be related to the disease for which the surgery was done, and they may or may not be direct results of the surgery.	1.98	1	0
Alcohol Drinking Behaviors associated with the ingesting of ALCOHOLIC BEVERAGES, including social drinking.	7.38	2	0
Heroin Abuse [description not available]	1.98	1	0
Heroin Dependence Strong dependence or addiction, both physiological and emotional, upon HEROIN.	1.98	1	0
Carcinoma, Oat Cell [description not available]	1.99	1	0
Carcinoma, Small Cell An anaplastic, highly malignant, and usually bronchogenic carcinoma composed of small ovoid cells with scanty neoplasm. It is characterized by a dominant, deeply basophilic nucleus, and absent or indistinct nucleoli. (From Stedman, 25th ed; Holland et al., Cancer Medicine, 3d ed, p1286-7)	1.99	1	0
Alcohol Withdrawal Associated Autonomic Hyperactivity [description not available]	1.99	1	0
Alcoholic Liver Diseases [description not available]	1.99	1	0
Liver Diseases, Alcoholic Liver diseases associated with ALCOHOLISM. It usually refers to the coexistence of two or more subentities, i.e., ALCOHOLIC FATTY LIVER; ALCOHOLIC HEPATITIS; and ALCOHOLIC CIRRHOSIS.	1.99	1	0
Emesis [description not available]	2	1	0
Atrioventricular Nodal Re-Entrant Tachycardia [description not available]	2	1	0
Nausea An unpleasant sensation in the stomach usually accompanied by the urge to vomit. Common causes are early pregnancy, sea and motion sickness, emotional stress, intense pain, food poisoning, and various enteroviruses.	2	1	0
Vomiting The forcible expulsion of the contents of the STOMACH through the MOUTH.	2	1	0
Tachycardia, Ventricular An abnormally rapid ventricular rhythm usually in excess of 150 beats per minute. It is generated within the ventricle below the BUNDLE OF HIS, either as autonomic impulse formation or reentrant impulse conduction. Depending on the etiology, onset of ventricular tachycardia can be paroxysmal (sudden) or nonparoxysmal, its wide QRS complexes can be uniform or polymorphic, and the ventricular beating may be independent of the atrial beating (AV dissociation).	2	1	0
Blood Pressure, Low [description not available]	2	1	0
Hypotension Abnormally low BLOOD PRESSURE that can result in inadequate blood flow to the brain and other vital organs. Common symptom is DIZZINESS but greater negative impacts on the body occur when there is prolonged depravation of oxygen and nutrients.	7	1	0
Anesthesia A state characterized by loss of feeling or sensation. This depression of nerve function is usually the result of pharmacologic action and is induced to allow performance of surgery or other painful procedures.	2	1	0
Adenocarcinoma Of Kidney [description not available]	1.98	1	0
Cancer of Kidney [description not available]	1.98	1	0
Condition, Preneoplastic [description not available]	1.98	1	0
Carcinoma, Renal Cell A heterogeneous group of sporadic or hereditary carcinoma derived from cells of the KIDNEYS. There are several subtypes including the clear cells, the papillary, the chromophobe, the collecting duct, the spindle cells (sarcomatoid), or mixed cell-type carcinoma.	1.98	1	0
Kidney Neoplasms Tumors or cancers of the KIDNEY.	1.98	1	0
Precancerous Conditions Pathological conditions that tend eventually to become malignant.	1.98	1	0
Plant Poisoning Poisoning by the ingestion of plants or its leaves, berries, roots or stalks. The manifestations in both humans and animals vary in severity from mild to life threatening. In animals, especially domestic animals, it is usually the result of ingesting moldy or fermented forage.	1.98	1	0
Ovine Diseases [description not available]	1.98	1	0
Kidney Diseases Pathological processes of the KIDNEY or its component tissues.	1.98	1	0
Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.	1.97	1	0
Cocarcinogenesis The combination of two or more different factors in the production of cancer.	1.97	1	0

harman

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