n-acetyl-4-nitrophenylserinol

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

Description

N-acetyl-4-nitrophenylserinol: RN given refers to cpd without isomeric designation; structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID Source	ID
PubMed CID	4335
CHEMBL ID	280196
SCHEMBL ID	8121625
MeSH ID	M0040036

Synonyms (21)

Synonym
15376-53-1
nsc48738
nsc-48738
4618-99-9
OPREA1_779552
CBDIVE_000863
n-acetyl-p-nitrophenylserinol
NCIOPEN2_002798
gnf-pf-3018 ,
CHEMBL280196
n-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
acetamide, n-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-
n-acetyl-4-nitrophenylserinol
nsc 48738
AKOS023249379
PIVQDUYOEIAFDM-UHFFFAOYSA-N
n-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl] acetamide
SCHEMBL8121625
d,l-2-acetamido-1-(4-nitrophenyl)-1,3-propanediol
n-[1,3-dihydroxy-1-(4-nitrophenyl)-2-propanyl]acetamide
DTXSID70864590

Research Excerpts

Bioavailability

Excerpt	Reference	Relevance
" The orally bioavailable lead imidazolopiperazine confers complete causal prophylactic protection (15 milligrams/kilogram) in rodent models of malaria and shows potent in vivo blood-stage therapeutic activity."	( Imaging of Plasmodium liver stages to drive next-generation antimalarial drug discovery. Barnes, SW; Bonamy, GM; Bopp, SE; Borboa, R; Bright, AT; Chatterjee, A; Che, J; Cohen, S; Dharia, NV; Diagana, TT; Fidock, DA; Froissard, P; Gagaring, K; Gettayacamin, M; Glynne, RJ; Gordon, P; Groessl, T; Kato, N; Kuhen, KL; Lee, MC; Mazier, D; McNamara, CW; Meister, S; Nagle, A; Nam, TG; Plouffe, DM; Richmond, W; Roland, J; Rottmann, M; Sattabongkot, J; Schultz, PG; Tuntland, T; Walker, JR; Winzeler, EA; Wu, T; Zhou, B; Zhou, Y, 2011)	0.37

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (9)

Assay ID	Title	Year	Journal	Article
AID449705	NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)	2008	Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26	In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID449703	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	2008	Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26	In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID449704	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	2008	Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26	In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID26317	Dissociation constant (pKa)	1980	Journal of medicinal chemistry, Dec, Volume: 23, Issue:12	Analogues of chloramphenicol: circular dichroism spectra, inhibition of ribosomal peptidyltransferase, and possible mechanism of action.
AID23948	Generation rate constant (log P value) obtained from the inhibition of growth of Escherichia coli cells	1980	Journal of medicinal chemistry, Dec, Volume: 23, Issue:12	Analogues of chloramphenicol: circular dichroism spectra, inhibition of ribosomal peptidyltransferase, and possible mechanism of action.
AID449706	NOVARTIS: Inhibition Frequency Index (IFI) - the number of HTS assays where a compound showed > 50% inhibition/induction, expressed as a percentage of the number of assays in which the compound was tested.	2008	Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26	In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID198282	Evaluated for percent inhibition against N-acetyl-L-[14C] phenylalanylpuromycin formation at 8e-4M	1980	Journal of medicinal chemistry, Dec, Volume: 23, Issue:12	Analogues of chloramphenicol: circular dichroism spectra, inhibition of ribosomal peptidyltransferase, and possible mechanism of action.
AID602156	Novartis GNF Liver Stage Dataset: Malariabox Annotation	2011	Science (New York, N.Y.), Dec-09, Volume: 334, Issue:6061	Imaging of Plasmodium liver stages to drive next-generation antimalarial drug discovery.
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.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	2 (40.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	1 (20.00)	29.6817
2010's	2 (40.00)	24.3611
2020's	0 (0.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.80

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

Metric	This Compound (vs All)
Research Demand Index	12.80 (24.57)
Research Supply Index	1.79 (2.92)
Research Growth Index	4.59 (4.65)
Search Engine Demand Index	0.00 (26.88)
Search Engine Supply Index	0.00 (0.95)

This Compound (12.80)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (20.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	4 (80.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
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.	2.46	2	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid: An IBOTENIC ACID homolog and glutamate agonist. The compound is the defining agonist for the AMPA subtype of glutamate receptors (RECEPTORS, AMPA). It has been used as a radionuclide imaging agent but is more commonly used as an experimental tool in cell biological studies.	2.06	1	non-proteinogenic alpha-amino acid
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.	2.46	2	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
nsc-267703 [no description available]	2.06	1	anthracycline
dactinomycin [no description available]	2.06	1	cyclodepsipeptide
1-aminoindan-1,5-dicarboxylic acid 1-aminoindan-1,5-dicarboxylic acid: structure given in first source	2.46	2
amodiaquine Amodiaquine: A 4-aminoquinoline compound with anti-inflammatory properties.. amodiaquine : A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position.	2.06	1	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
astemizole Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.	2.46	2	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
berberine [no description available]	2.06	1	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
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.	2.46	2	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
aricine [no description available]	2.46	2	cinchona alkaloid
clofilium clofilium: RN given refers to parent cpd; structure	2.06	1	benzenes; organic amino compound
clotrimazole [no description available]	2.46	2	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
dequalinium Dequalinium: A topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration.. dequalinium : A quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group.	2.06	1	quinolinium ion	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
nsc-526417 [no description available]	2.06	1
gentian violet crystal violet cation : An iminium ion that is malachite green cation in which the hydrogen at the para- psition of the monosubstituted phenyl group is replaced by a dimethylamino group.	2.06	1	iminium ion	antibacterial agent; antifungal agent
hexahydrosiladifenidol [no description available]	2.06	1
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.	2.46	2	organofluorine compound; piperidines; quinolines; secondary alcohol
moclobemide Moclobemide: A reversible inhibitor of monoamine oxidase type A; (RIMA); (see MONOAMINE OXIDASE INHIBITORS) that has antidepressive properties.. moclobemide : A member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression.	2.46	2	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
oxiracetam oxiracetam: structure in first source	2.46	2	organonitrogen compound; organooxygen compound
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.	2.46	2	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
pronethalol pronethalol: was heading 1964-94 (Prov 1964-66); NAPHTHYLISOPROTERENOL was see PRONETHALOL 1977-94; use ETHANOLAMINES to search PRONETHALOL 1966-94	2.46	2	naphthalenes
propafenone Propafenone: An antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity.. propafenone : An aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias.	2.46	2	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
pyrimethamine Maloprim: contains above 2 cpds	2.46	2	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
scriptaid scriptide: provokes translocation of GLUT4 to increase glucose uptake; structure in first source	2.46	2	isoquinolines
6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone [no description available]	2.46	2	cyclodepsipeptide
serine Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.	3.05	1	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
chloramphenicol Amphenicol: Chloramphenicol and its derivatives.	3.46	2	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
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.	2.46	2	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
phanquinone phanquinone: structure. phanquone : An orthoquinone that is the 5,6-diketo derivative of 4,7-phenanthroline.	2.46	2	orthoquinones
pyocyanine Pyocyanine: Antibiotic pigment produced by Pseudomonas aeruginosa.. pyocyanine : An iminium betaine that is 5-methylphenazin-5-ium which is substituted at position 1 by an oxidanidyl group. An antibiotic pigment produced by Pseudomonas aeruginosa.	3.05	1	iminium betaine; phenazines	antibacterial agent; bacterial metabolite; biological pigment; virulence factor
diphenan [no description available]	2.46	2	diarylmethane
2-phenylacetamide 2-phenylacetamide: structure. 2-phenylacetamide : A monocarboxylic acid amide that is acetamide substituted by a phenyl group at position 2.	2.46	2	monocarboxylic acid amide	mouse metabolite
shikimic acid Shikimic Acid: A tri-hydroxy cyclohexene carboxylic acid important in biosynthesis of so many compounds that the shikimate pathway is named after it.. shikimic acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms.	3.05	1	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
tetraphenylborate Tetraphenylborate: An anionic compound that is used as a reagent for determination of potassium, ammonium, rubidium, and cesium ions. It also uncouples oxidative phosphorylation and forms complexes with biological materials, and is used in biological assays.	2.46	2
cycloguanil hydrochloride cycloguanil hydrochloride : The hydrochloride salt of cycloguanil.	2.46	2	hydrochloride; organic molecular entity
cycloguanil cycloguanil: the active metabolite of proguanil; antifolate drug; structure in first source. cycloguanil : A triazine in which a 1,6-dihydro-1,3,5-triazine ring is substituted at N-1 by a 4-chlorophenyl group, at C-2 and -4 by amino groups and at C-6 by gem-dimethyl groups. A dihydrofolate reductase inhibitor, it is a metabolite of the antimalarial drug proguanil.	2.06	1	triazines	antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
triphenyltetrazolium triphenyltetrazolium: RN given refers to parent cpd. 2,3,5-triphenyltetrazolium : An organic cation that is tetrazole carrying three phenyl substituents at positions 2, 3 and 5.	2.06	1	organic cation
berbamine [no description available]	2.06	1	phenylpropanoid
emetine Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties.	2.46	2	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
dequalinium chloride dequalinium chloride : An organic chloride salt that is the dichloride salt of dequalinium.	2.46	2	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
gentian violet Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.. crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain.	2.04	1	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
chorismic acid Chorismic Acid: A cyclohexadiene carboxylic acid derived from SHIKIMIC ACID and a precursor for the biosynthesis of UBIQUINONE and the AROMATIC AMINO ACIDS.. chorismic acid : The (3R,4R)-stereoisomer of 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid.	3.05	1	5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
Berberine chloride (TN) [no description available]	2.46	2	organic molecular entity
9,10-dimethylanthracene 9,10-dimethylanthracene: RN given refers to parent ion	2.46	2
pyrrolnitrin Pyrrolnitrin: 3-Chloro-4-(3-chloro-2-nitrophenyl)pyrrole. Antifungal antibiotic isolated from Pseudomonas pyrrocinia. It is effective mainly against Trichophyton, Microsporium, Epidermophyton, and Penicillium.. pyrrolnitrin : A member of the class of pyrroles carrying chloro and 3-chloro-2-nitrophenyl substituents at positions 3 and 4 respectively.	3.05	1	alkaloid; C-nitro compound; monochlorobenzenes; pyrroles	antifungal drug; bacterial metabolite
c 137 C 137: RN given refers to parent cpd	2.46	2
palmatine burasaine: structure in first source	2.06	1	berberine alkaloid; organic heterotetracyclic compound	plant metabolite
4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine 4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine: structure in first source	2.06	1
buquinolate [no description available]	2.46	2
propranolol glycol propranolol glycol: propranolol metabolite; potent anticonvulsant against strychnine induced convulsions	2.46	2
naphthoxybutanolcyclohexylamine naphthoxybutanolcyclohexylamine: structure	2.06	1
staurosporine [no description available]	2.06	1	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
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.	2.06	1	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
thionine thionine: do not confuse with the thionins which is a class of polypeptides; RN above is for the chloride;. thionine : An organic chloride salt composed of 3,7-diaminophenothiazin-5-ium and chloride ions in a 1:1 ratio. A strongly metachromatic dye, useful for the staining of acid mucopolysaccharides. It is also a common nuclear stain and can be used for the demonstration of Nissl substance in nerve cells of the CNS.	2.04	1
neocuproine neocuproine: Spectrophotometric determination of copper and ultramicro blood sugar determinations; structure; RN given refers to parent cpd. neocuproine : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9.	2.46	2	phenanthrolines	chelator; copper chelator
mefloquine hydrochloride [no description available]	2.04	1	hydrochloride
toxoflavin toxoflavin: azapteridine antibiotic; structure. toxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.	2.46	2	carbonyl compound; pyrimidotriazine	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor
selfotel selfotel: a N-methyl-D-aspartate (NMDA) antagonist; used to treat stroke-induced impairment	2.04	1	non-proteinogenic alpha-amino acid
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.	2.46	2	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
quinocide quinocide: Russian drug; RN given refers to parent cpd; structure	2.06	1
2,2',2''-terpyridine 2,2',2''-terpyridine: RN given refers to parent cpd. 2,2':6',2''-terpyridine : A tridentate heterocyclic ligand that binds metals at three meridional sites giving two adjacent 5-membered MN2C2 chelate rings.	2.46	2	terpyridines	chelator
clobetasone butyrate [no description available]	2.06	1	organic molecular entity
cletoquine [no description available]	2.46	2
jatrorrhizine jatrorrhizine: isolated from bark of Enantia chlorantha (Annonaceae); structure given in first source	2.06	1	alkaloid
lycorine lycorine: from bulbs of LYCORIS & other plants; RN given refers to (1 alpha,2 beta)-isomer; structure in Merck Index, 9th ed, #5444. lycorine : An indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity.	2.46	2	indolizidine alkaloid	anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor
bathophenanthroline 4,7-diphenyl-1,10-phenanthroline : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two phenyl substituents at positions 4 and 7.	2.46	2	benzenes; phenanthrolines	chelator
fascaplysine fascaplysine: from tropic sea sponges	2.04	1
LSM-4272 [no description available]	2.06	1	beta-carbolines
tryptanthrine tryptanthrine: minor constituent of traditional Chinese medicine qing dai	2.46	2	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound
ethylhydrocupreine ethylhydrocupreine: structure; RN given refers to parent cpd. optochin : A cinchona alkaloid consisting of 10,11-dihydrocinchonan bearing hydroxy and ethoxy substituents at positions 9 and 6' respectively.	2.46	2	aromatic ether; cinchona alkaloid	EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
2,4-diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine 2,4-diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine: RN given refers to parent cpd; structure given in first source	2.06	1
cinchonine [no description available]	2.46	2	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
1-(4'-nitrophenyl)-2-aminopropane-1,3-diol 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol: chloramphenicol minus dichloroacetamide side chain; RN given refers to cpd without isomeric designation	1.95	1
7-chloro-4-aminoquinoline 7-chloro-4-aminoquinoline: structure given in first source	2.46	2	aminoquinoline
mmv665852 MMV665852: an antischistosomal agent	2.46	2
1,3,4,10-Tetrahydro-9(2H)-acridinone [no description available]	2.46	2	acridines
wr 158122 WR 158122: structure	2.46	2
10-deazaaminopterin [no description available]	2.06	1
dihydroergocristine Dihydroergocristine: A 9,10alpha-dihydro derivative of ERGOTAMINE that contains an isopropyl sidechain at the 2' position of the molecule.. dihydroergocristine : Ergocristine in which a single bond replaces the double bond between positions 9 and 10. It is used as the mesylate salt for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease.	2.46	2	ergot alkaloid	adrenergic antagonist; vasodilator agent
benzamil [no description available]	2.06	1	guanidines; pyrazines
3',4'-dichlorobenzamil 3',4'-dichlorobenzamil: inhibits Na-Ca exchange in membrane vesicle & papillary muscle preparations from guinea pig heart	2.46	2	guanidines; pyrazines
cleistanthin b cleistanthin B: toxic constituent of Cleistanthus collinus. cleistanthin B : A member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a beta-D-glucopyranosyl group.	2.46	2	beta-D-glucoside; cleistanthins; monosaccharide derivative	alpha-adrenergic antagonist; antihypertensive agent; diuretic
n-acetyltyramine N-acetyltyramine: structure given in first source. N-acetyltyramine : A member of the class of tyramines that is tyramine in which one of the hydrogens of the amino group is replaced by an acetyl group.	2.46	2	acetamides; tyramines	animal metabolite; Aspergillus metabolite; bacterial metabolite; marine metabolite; quorum sensing inhibitor
1,3-di(4-imidazolinophenoxyl)propane 1,3-di(4-imidazolinophenoxyl)propane: structure given in first source	2.46	2
7h-pyrido(4,3-c)carbazole 7H-pyrido(4,3-c)carbazole: structure given in first source	2.46	2
imiloxan [no description available]	2.06	1	benzodioxine
cl 246738 3,6-bis(2-piperidinoethoxy)acridine trihydrochloride: immunomodulator; structure given in first source; RN given for tri-HCl	2.46	2
celastrol methyl ester celastrol methyl ester: isolated from Tripterygium wilfordii; potent inhibitory activity on both Kir2.1 and ERG1 potassium channels, leading to LONG QT SYNDROME	2.46	2	carboxylic ester
epiberberine epiberberine: isolated in plants of Coptis from China	2.06	1
2-phenyl-4-oxohydroquinoline 2-phenyl-4-oxohydroquinoline: structure given in first source	2.46	2
cypripedin cypripedin: sensitizing agent for contact dermatitis from Lady Slipper (Cypripedium calceolus); structure	2.46	2	phenanthrol
respinomycin d respinomycin D: structure given in first source; isolated from Streptomyces xanthocidicus	2.46	2
azacrin azacrin: structure	2.04	1
acetoxycycloheximide acetoxycycloheximide: structure	2.46	2
(R)-Roemerine [no description available]	2.46	2	isoquinoline alkaloid
anisomycin Anisomycin: An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.. (-)-anisomycin : An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.	2.04	1	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor
2-guanidine-4-methylquinazoline 2-guanidine-4-methylquinazoline: structure given in first source	2.46	2
jatrorrhizine chloride [no description available]	2.04	1
mensacarcin mensacarcin: structure in first source	2.06	1
puromycin [no description available]	2.46	2	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor
quinidine Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission.. quinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy.	2.46	2	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
cephaelin cephaelin: do not confuse with cephalin of brain; after emetine this is the most important alkaloid of ipecac; protein synthesis inhibitor. cephaeline : A pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions.	2.06	1	pyridoisoquinoline
trichostatin a trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES	2.04	1	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
epothilone b [no description available]	2.46	2	epothilone; epoxide	antineoplastic agent; apoptosis inducer; microtubule-stabilising agent
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.	2.06	1	[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol	antimalarial
dactinomycin Dactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015)	2.46	2	actinomycin	mutagen
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione [no description available]	2.46	2	pyrimidotriazine
jp-1302 [no description available]	2.46	2
7-hydroxy-2-methoxy-1,4-phenanthrenedione 7-hydroxy-2-methoxy-1,4-phenanthrenedione: structure in first source; from Dendrobium densiflorum	2.46	2
cgp 60474 [no description available]	2.46	2	substituted aniline
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol [no description available]	2.06	1	alkylbenzene
2-[2-hydroxy-6,7-dimethoxy-4-(4-morpholinyl)-1-naphthalenyl]-N-phenylacetamide [no description available]	2.46	2	naphthols
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine [no description available]	2.46	2	aralkylamine
n-(4-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine N-(4-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine: calcium-activated small conductance potassium channels inhibitor; structure in first source	2.06	1
2,6-bis(benzimidazol-2-yl)pyridine 2,6-bis(benzimidazol-2-yl)pyridine: structure in first source	2.46	2	benzimidazoles
n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine N-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine: an SK channel inhibitor	2.46	2
N-[4-(1-azepanyl)phenyl]-2-chloroacetamide [no description available]	2.46	2	anilide
N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) ester [no description available]	2.46	2	toluenes
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) [no description available]	2.46	2	benzimidazoles
1,4,8-trimethyl-12-quinolino[2,3-b]quinolinamine [no description available]	2.46	2	aminoquinoline
2-furanyl-(4,4,8-trimethyl-1-sulfanylidene-5-dithiolo[3,4-c]quinolinyl)methanone [no description available]	2.46	2	aromatic amide; heteroarene
1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone [no description available]	2.46	2	quinolines
stk295900 [no description available]	2.46	2
6-(4-methyl-1-piperazinyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole [no description available]	2.46	2	benzimidazoles
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine [no description available]	2.46	2	aromatic ether
N-[2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-2-benzimidazol-3-iumyl]ethenyl]-N-methylaniline [no description available]	2.46	2	benzimidazoles
4-(1-adamantyl)-2-methyl-1,3-thiazole [no description available]	2.46	2	thiazoles
2-amino-6-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]pyridine-3,5-dicarbonitrile [no description available]	2.46	2	piperazines; pyridines
1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea [no description available]	2.46	2	pyrazoles; ring assembly
2-(4,6,7-Trimethyl-2-quinazolinyl)guanidine [no description available]	2.46	2	quinazolines
polysulfide rubber [no description available]	2.46	2
lch-7749944 LCH-7749944: potent p21-activated kinase 4 inhibitor, structure in first source	2.06	1
4-(4-nitrophenyl)-N-prop-2-enyl-1-piperazinecarbothioamide [no description available]	2.46	2	piperazines
zd 6474 CH 331: structure in first source	2.46	2	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
5-bromo-1-(1-oxopropyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide [no description available]	2.46	2	indoles
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide [no description available]	2.46	2	aromatic amide; heteroarene
2-[(3-ethyl-7-methyl-4-oxo-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl)thio]-N-(2-phenylethyl)acetamide [no description available]	2.46	2	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
trichomonacid trichomonacid: RN given refers to phosphate (1:3) salt	2.46	2
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine [no description available]	2.46	2	triazolopyrimidines
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide [no description available]	2.46	2	isoindoles
cgp 71683 a [no description available]	2.06	1	naphthalenes; sulfonic acid derivative
2-(dimethylaminostyryl)-1-ethylpyridinium 2-(dimethylaminostyryl)-1-ethylpyridinium: fluorescent monitor for energetic state of isolated brown- adipose-tissue mitochondria; RN given refers to parent cpd; synonym DASPEI refers to iodide	2.06	1	pyridinium ion
penicillin v [no description available]	2.04	1	1,1'-diethyl-2,2'-cyanine; quinolines
hydrocortisone acetate, (11beta)-isomer [no description available]	2.46	2
xib 4035 XIB 4035: a GFRalpha-1 agonist; structure in first source	2.46	2
10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-one [no description available]	2.46	2	pyridochromene
lumefantrine Lumefantrine: A fluorene derivative that is used in combination with ARTEMETHER for the treatment of MALARIA (see ARTEMETHER-LUMEFANTRINE DRUG COMBINATION).. lumefantrine : A member of the class of fluorenes that is 9-(p-chlorobenzylidene)-9H-fluorene which is substitutec by chlorine at positions 2 and 7, and by a 2-(dibutylamino)-1-hydroxyethyl group at position 4. An antimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of falciparum malaria.	2.46	2	fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine	antimalarial
suloctidil Suloctidil: A peripheral vasodilator that was formerly used in the management of peripheral and cerebral vascular disorders. It is hepatotoxic and fatalities have occurred. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1312)	2.04	1
edatrexate edatrexate: structure given in first source	2.46	2	glutamic acid derivative
cgp 71683 a CGP 71683 A: selective NPY Y(5) receptor antagonist; structure in first source	2.04	1
norketotifen norketotifen: Ketotifen is an antimalarial prodrug of norketotifen with blood schizonticidal and liver-stage efficacy; structure in first source	2.06	1	organosulfur heterocyclic compound
artenimol artenimol: derivative of antimalarial drug artemisinin (quinghaosu)	2.04	1
aee 788 AEE 788: structure in first source	2.46	2	6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug
tomaymycin tomaymycin: structure. tomaymycin : A pyrrolobenzodiazepine that is (11aS)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine which is substituted at positions 2,5,7,8 and 11R by ethylidene, oxo, methoxy, hydroxy and methoxy groups, respectively. It is a natural product of Streptomyces achromogenes that binds covalently with guanine in the minor groove of DNA. It is an antitumoral compound which is active in ovarian, plasmacytoma, and leukemia cancer cell lines at nanomolar concentrations.. (Z)-tomaymycin : The (Z)-isomer of tomaymycin.	2.46	2	tomaymycin
amodiaquine hydrochloride [no description available]	2.04	1
gramicidin a Gramicidin: A group of peptide antibiotics from BACILLUS brevis. Gramicidin C or S is a cyclic, ten-amino acid polypeptide and gramicidins A, B, D are linear. Gramicidin is one of the two principal components of TYROTHRICIN.	2.46	2
N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]-N-(3-thiophenylmethyl)propanamide [no description available]	2.46	2	benzenes
rs 39604 RS 39604 hydrochloride : A hydrochloride salt obtained by mixing equimolar amounts of RS 39604 with hydrochloric acid. A potent and selective 5-HT4 antagonist, with a pKi of 9.1 at 5-HT4 receptors in guinea pig striatal membranes and greater than 1000-fold selectivity over 5-HT1A, 2C, 3 and D1, D2, M1, M2, AT1, B1 and alpha1C receptors. The ketone group gives RS 39604 a relatively long half life; it is also orally active and so suitable for in vivo studies.. RS 39604 : An aromatic ether that is the 3,5-dimethoxybenzyl derivative of N-(2-{4-[3-(4-amino-5-chloro-2-hydroxyphenyl)-3-oxopropyl]piperidin-1-yl}ethyl)methanesulfonamide. A potent and selective 5-HT4 antagonist, with a pKi of 9.1 at 5-HT4 receptors in guinea pig striatal membranes and greater than 1000-fold selectivity over 5-HT1A, 2C, 3 and D1, D2, M1, M2, AT1, B1 and alpha1C receptors. The ketone group gives RS 39604 a relatively long half life; it is also orally active and so suitable for in vivo studies.	2.04	1	hydrochloride	serotonergic antagonist
1-[amino-[(6-methoxy-4-methyl-2-quinazolinyl)amino]methylidene]-3-phenylurea [no description available]	2.46	2	quinazolines

Condition	Relationship Strength	Studies
Infections, Plasmodium [description not available]	2.46	2
Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia.	2.46	2
Anemia, Fanconi [description not available]	2.13	1
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

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