tedizolid phosphate

Description

tedizolid phosphate: a prodrug of DA-7157; structure in first source [MeSH]

tedizolid phosphate : A phosphate monoester resulting from the formal condensation of equimolar amounts of phosphoric acid with the hydroxy group of tedizolid . It is a prodrug of tedizolid, used for the treatment of acute bacterial skin infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis. [CHeBI]

Cross-References

ID Source	ID
PubMed CID	11476460
CHEMBL ID	2105669
SCHEMBL ID	1557561
CHEBI ID	83326
MeSH ID	M0548441

Synonyms (60)

Synonym
torezolid phosphate
tedizolid phosphate
chebi:83326 ,
bdbm50017198
tr-701-fa
856867-55-5
D09686
tedizolid phosphate (jan/usan)
sivextro (tn)
unii-o7drj6r4dw
sivextro
tr-701 fa
tedizolid phosphate [usan]
2-oxazolidinone, 3-(3-fluoro-4-(6-(2-methyl-2h-tetrazol-5-yl)-3-pyridinyl)phenyl)-5- ((phosphonooxy)methyl)-, (5r)-
o7drj6r4dw ,
((5r)-3-(3-fluoro-4-(6-(2-methyl-2h-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5- yl)methyl hydrogen phosphate
da7218
CHEMBL2105669
tr-701fa
S4641
tedizolid phosphate [orange book]
[(5r)-3-{3-fluoro-4-[6-(2-methyl-2h-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxooxazolidin-5-yl]methyl hydrogen phosphate
da-7218 free acid
tedizolid phosphate [mi]
tedizolid phosphate [jan]
tedizolid phosphate [vandf]
tr-701 free acid phosphate
tedizolid phosphate [who-dd]
2-oxazolidinone, 3-(3-fluoro-4-(6-(2-methyl-2h-tetrazol-5-yl)-3-pyridinyl)phenyl)-5-((phosphonooxy)methyl)-, (5r)-
[(5r)-3-{3-fluoro-4-[6-(2-methyl-2h-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CS-5004
DTXSID30234977 ,
SCHEMBL1557561
(r)-(3-(3-fluoro-4-(6-(2-methyl-2h-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl dihydrogen phosphate
tedizolid (phosphate)
HY-14855B
DB09042
AKOS027250820
mfcd28098176
(5r)-3-[3-fluoro-4-[6-(2-methyl-2h-tetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(phosphonooxy)methyl]-2-oxazolidinone; tr 701fa; tedizolid hydrogen phosphate; tedizolid phosphate
NCGC00482851-02
856867-55-5 (phosphate)
Q21011227
tr701-fa; tr-701-fa; tr 701-fa
BCP10960
EX-A5792
tedizolid-phosphate
AMY9256
CCG-269233
tedizolidphosphate
[(5r)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
AS-57141
A863474
EN300-7407866
{[(5r)-3-{3-fluoro-4-[6-(2-methyl-2h-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methoxy}phosphonic acid
tr701
((5r)-3-(3-fluoro-4-(6-(2-methyl-2h-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxo-1,3-oxazolidin-5-yl)methyl dihydrogen phosphate
((5r)-3-(3-fluoro-4-(6-(2-methyl-2h-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl hydrogen phosphate
dtxcid60157468
(5r)-(3-(3-fluoro-4-(6-(2-methyl-2h-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl dihydrogen phosphate

Roles (3)

Role	Description
antimicrobial agent	A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
protein synthesis inhibitor	A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein.
prodrug	A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.

Drug Classes (6)

Class	Description
carbamate ester	Any ester of carbamic acid or its N-substituted derivatives.
organofluorine compound	An organofluorine compound is a compound containing at least one carbon-fluorine bond.
oxazolidinone	An oxazolidine containing one or more oxo groups.
pyridines	Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives.
tetrazoles	An azole in which the five-membered heterocyclic aromatic skeleton contains four N atoms and one C atom.
phosphate monoester	An organic phosphate that is phosphoric acid in which one of the hydrogens is replaced by an organyl group.

Bioassays (11)

Assay ID	Title	Year	Journal	Article
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 ISSN: 2472-5560	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347160	Primary screen NINDS Rhodamine 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 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347159	Primary screen GU Rhodamine 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 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1151709	Myelosuppression activity against human CD34-positive blood stem/progenitor cells assessed as growth inhibition after 9 to 10 days by CellTiter-Glo luminescent assay	2014	Journal of medicinal chemistry, Jun-12, Volume: 57, Issue:11 ISSN: 1520-4804	New potent antibacterial oxazolidinone (MRX-I) with an improved class safety profile.
AID1151706	Inhibition of human recombinant MAO-A expressed in yeast after 1 hr by luciferin-based luminescence assay	2014	Journal of medicinal chemistry, Jun-12, Volume: 57, Issue:11 ISSN: 1520-4804	New potent antibacterial oxazolidinone (MRX-I) with an improved class safety profile.
AID1866020	Thermodynamic aqueous solubility of the compound	2022	Bioorganic & medicinal chemistry, 02-15, Volume: 56ISSN: 1464-3391	Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
AID1288436	Half life in patient at 200 mg, po or iv administered once daily	2016	Bioorganic & medicinal chemistry, May-01, Volume: 24, Issue:9 ISSN: 1464-3391	Synthetic approaches to the 2014 new drugs.
AID1151710	Antibacterial activity against methicillin-resistant Staphylococcus aureus	2014	Journal of medicinal chemistry, Jun-12, Volume: 57, Issue:11 ISSN: 1520-4804	New potent antibacterial oxazolidinone (MRX-I) with an improved class safety profile.
AID1288435	Oral bioavailability in patient at 200 mg administered once daily	2016	Bioorganic & medicinal chemistry, May-01, Volume: 24, Issue:9 ISSN: 1464-3391	Synthetic approaches to the 2014 new drugs.

Research

Studies (112)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	4 (3.57)	29.6817
2010's	98 (87.50)	24.3611
2020's	10 (8.93)	2.80

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	24 (20.87%)	5.53%
Reviews	24 (20.87%)	6.00%
Case Studies	1 (0.87%)	4.05%
Observational	0 (0.00%)	0.25%
Other	66 (57.39%)	84.16%

Substance	Classes	Roles	Relationship Strength
albendazole	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator	low
bendiocarb	benzodioxoles; carbamate ester	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor	low
bethanechol	carbamate ester; quaternary ammonium ion	muscarinic agonist	low
carbofuran	1-benzofurans; carbamate ester	acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide	low
carisoprodol	carbamate ester	muscle relaxant	low
cefuroxime	carbamate ester; cephalosporin		low
chlorphenesin carbamate	carbamate ester; monochlorobenzenes; secondary alcohol	muscle relaxant	low
chlorpropham	benzenes; carbamate ester; monochlorobenzenes	herbicide; plant growth retardant	low
distigmine	carbamate ester; pyridinium ion	EC 3.1.1.8 (cholinesterase) inhibitor; muscarinic agonist	low
ethinamate	carbamate ester; terminal acetylenic compound	sedative	low
felbamate	carbamate ester	anticonvulsant; neuroprotective agent	low
fenbendazole	aryl sulfide; benzimidazoles; carbamate ester	antinematodal drug	low
mebendazole	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator	low
methocarbamol	aromatic ether; carbamate ester; secondary alcohol		low
methomyl	aliphatic sulfide; carbamate ester	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; nematicide; xenobiotic	low
nocodazole	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator	low
entinostat	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
oxibendazole	benzimidazoles; carbamate ester		low
phosalone	1,3-benzoxazoles; carbamate ester; organochlorine insecticide; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor	low
propoxur	aromatic ether; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor	low
1,6-bis(cyclohexyloximinocarbonyl)hexane	carbamate ester; organonitrogen compound		low
ronidazole	C-nitro compound; carbamate ester; imidazoles	antiparasitic agent; antiprotozoal drug	low
urethane	carbamate ester	fungal metabolite; mutagen	low
ici 204,219	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist	low
carbachol	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic	low
demecarium	carbamate ester; quaternary ammonium ion		low
physostigmine	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic	low
carbaryl	carbamate ester; naphthalenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant	low
emylcamate	carbamate ester		low
barban	acetylenic compound; carbamate ester; monochlorobenzenes	herbicide	low
hexapropymate	carbamate ester		low
diperodon	carbamate ester		low
uraline	carbamate ester		low
bethanechol chloride	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist	low
methyl carbamate	carbamate ester		low
metolcarb	carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor	low
aminocarb	carbamate ester; toluenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; molluscicide	low
methiocarb	aryl sulfide; carbamate ester; methyl sulfide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; molluscicide; xenobiotic	low
mecarbam	carbamate ester; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor	low
isoprocarb	carbamate ester	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor	low
methiocarb sulfoxide	carbamate ester; sulfoxide	marine xenobiotic metabolite	low
asulam	carbamate ester; primary amino compound; substituted aniline; sulfonamide	agrochemical; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; herbicide; xenobiotic	low
bpmc	carbamate ester	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; herbicide; insecticide	low
tybamate	carbamate ester		low
lobendazole	benzimidazoles; carbamate ester		low
nitrosocarbaryl	carbamate ester; naphthalenes; nitroso compound	carcinogenic agent; mutagen	low
propham	benzenes; carbamate ester	herbicide; plant growth retardant	low
desmedipham	carbamate ester	agrochemical; environmental contaminant; herbicide; xenobiotic	low
phenmedipham	carbamate ester	environmental contaminant; herbicide; xenobiotic	low
carbendazim	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent	low
parbendazole	benzimidazoles; carbamate ester		low
vinyl carbamate	carbamate ester		low
metergoline	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist	low
benomyl	aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator	low
carbimazole	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug	low
formetanate	carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor	low
pirimicarb	aminopyrimidine; carbamate ester; tertiary amino compound	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic	low
propamocarb	carbamate ester; carbamate fungicide; tertiary amino compound	antifungal agrochemical; environmental contaminant; xenobiotic	low
moricizine	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug	low
croneton	carbamate ester	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor	low
flubendazole	aromatic ketone; benzimidazoles; carbamate ester; organofluorine compound	antinematodal drug; teratogenic agent	low
ciclobendazole	benzimidazoles; carbamate ester		low
oxfendazole	benzimidazoles; carbamate ester; sulfoxide	antinematodal drug	low
dibutylaminosulfenylcarbofuran	1-benzofurans; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide	low
diaziquone	1,4-benzoquinones; aziridines; carbamate ester; enamine	alkylating agent; antineoplastic agent	low
deltanit	1-benzofurans; carbamate ester	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor	low
fenoxycarb	aromatic ether; carbamate ester	environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic	low
bambuterol hydrochloride	carbamate ester; hydrochloride; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent	low
bambuterol	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent	low
benfuracarb	1-benzofurans; carbamate ester; ethyl ester	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor	low
irinotecan	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	low
capecitabine	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug	low
3-iodo-2-propynylbutylcarbamate	acetylenic compound; carbamate ester; carbamate fungicide; organoiodine compound	antifungal agrochemical; environmental contaminant; xenobiotic	low
amprenavir	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor	low
cyclarbamate	carbamate ester		low
carbobenzoxyvalylphenylalanine aldehyde	aldehyde; carbamate ester; dipeptide	antileishmanial agent; apoptosis inhibitor; EC 3.4.22.52 (calpain-1) inhibitor; EC 3.4.22.53 (calpain-2) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor	low
oxazolidin-2-one	carbamate ester; oxazolidinone	metabolite	low
rivastigmine	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent	low
diethofencarb	aromatic ether; carbamate ester; carbanilate fungicide	antifungal agrochemical	low
ezogabine	carbamate ester; organofluorine compound; secondary amino compound; substituted aniline	anticonvulsant; potassium channel modulator	low
thiobenzyl benzyloxycarbonyl-l-lysinate	benzyl ester; carbamate ester; L-lysine derivative; primary amino compound; thiocarboxylic ester		low
torcetrapib	(trifluoromethyl)benzenes; carbamate ester; quinolines	anticholesteremic drug; CETP inhibitor	low
N-(4-methoxyphenyl)carbamic acid propan-2-yl ester	carbamate ester		low
darunavir	carbamate ester; furofuran; sulfonamide	antiviral drug; HIV protease inhibitor	low
N-(3-chlorophenyl)carbamic acid 2-pyridinylmethyl ester	carbamate ester		low
N-[3-(ethoxycarbonylamino)-2,2-dimethylpropyl]carbamic acid ethyl ester	carbamate ester		low
nsc-89199	carbamate ester; organochlorine compound; steroid phosphate		low
estramustine	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent	low
N-(4-fluorophenyl)carbamic acid (2-oxo-1H-pyridin-3-yl) ester	carbamate ester		low
N-phenylcarbamic acid 2-phenoxyethyl ester	carbamate ester		low
o-(chloroacetylcarbamoyl)fumagillol	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist	low
ritonavir	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic	low
benzyloxycarbonylleucyl-leucyl-leucine aldehyde	amino aldehyde; carbamate ester; tripeptide	proteasome inhibitor	low
N-[2-[(3-chloroanilino)-oxomethoxy]ethyl]carbamic acid propan-2-yl ester	carbamate ester		low
N-[4-(2-pyrimidinylsulfamoyl)phenyl]carbamic acid methyl ester	carbamate ester		low
N-(4-phenylmethoxyphenyl)carbamic acid methyl ester	carbamate ester		low
N-methyl-N-phenylcarbamic acid (4-tert-butylphenyl) ester	carbamate ester		low
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate	carbamate ester; sulfonamide		low
N-(4-chlorophenyl)carbamic acid 2-pyridinylmethyl ester	carbamate ester		low
N-(4-chlorophenyl)carbamic acid [1-(4-chlorophenyl)-4-triazolyl]methyl ester	carbamate ester		low
N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester	carbamate ester		low
3,3,3-trifluoro-2-hydroxy-2-[4-[methoxycarbonyl(methyl)amino]phenyl]propanoic acid methyl ester	carbamate ester		low
thiophanate	benzimidazole precursor fungicide; carbamate ester; carbamate fungicide; thioureas	antifungal agrochemical	low
thiophanate	benzimidazole precursor fungicide; carbamate ester; carbamate fungicide; thioureas	antifungal drug	low
maytansine	alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound	antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator	low
geldanamycin	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor	low
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin	1,4-benzoquinones; ansamycin; carbamate ester; secondary amino compound; tertiary amino compound	Hsp90 inhibitor	low
l 685458	carbamate ester; monocarboxylic acid amide; peptide; secondary alcohol	EC 3.4.23.46 (memapsin 2) inhibitor; peptidomimetic	low
z-val-ala-asp(ome)-fluoromethylketone	carbamate ester; organofluorine compound; tripeptide	apoptosis inhibitor; protease inhibitor	low
pyrachlostrobin	aromatic ether; carbamate ester; carbanilate fungicide; methoxycarbanilate strobilurin antifungal agent; monochlorobenzenes; pyrazoles	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic	low
s 1006	1,3-thiazoles; carbamate ester; carboxylic acid; cephalosporin; enamide; secondary carboxamide	antibacterial drug	low
concanamycin a	carbamate ester; concanamycin	antifungal agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; metabolite	low
kalimantacin a	alpha,beta-unsaturated monocarboxylic acid; carbamate ester; fatty acid derivative; secondary carboxamide	antibacterial agent; antimicrobial agent; bacterial metabolite	low
tanespimycin	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor	low
methiazole	benzimidazoles; carbamate ester		low
iprovalicarb	amino acid amide; carbamate ester; valine derivative		low
givinostat	carbamate ester		low
cay 10499	carbamate ester		low
vorapaxar	carbamate ester; lactone; naphthofuran; organofluorine compound; pyridines	cardiovascular drug; platelet aggregation inhibitor; protease-activated receptor-1 antagonist	low
ki16425	carbamate ester; isoxazoles; monocarboxylic acid; monochlorobenzenes; organic sulfide		low
tedizolid	carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles	antimicrobial agent; drug metabolite; protein synthesis inhibitor	low
bay 63-2521	aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine	antihypertensive agent; soluble guanylate cyclase activator	low
bay 60-4552	aminopyrimidine; carbamate ester; monofluorobenzenes; pyrazolopyridine	antihypertensive agent; drug metabolite; soluble guanylate cyclase activator; vasodilator agent	low
wyosine	carbamate ester; methyl ester; nucleoside analogue		low
mk-7009	azamacrocycle; carbamate ester; cyclopropanes; N-sulfonylcarboxamide; pyrrolidinecarboxamide	antiviral drug; hepatitis C protease inhibitor	low
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester	carbamate ester		low
cobicistat	1,3-thiazoles; carbamate ester; monocarboxylic acid amide; morpholines; ureas	P450 inhibitor	low
bms-790052	biphenyls; carbamate ester; carboxamide; imidazoles; valine derivative	antiviral drug; nonstructural protein 5A inhibitor	low
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester	carbamate ester		low
grazoprevir	aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative	antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent	low
vericiguat	aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent	low
novobiocin	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent	low
abt-267	aromatic amide; carbamate ester; dipeptide; pyrrolidines	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor	low
saxitoxin	alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine	cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin	low
ledipasvir	azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound	antiviral drug; hepatitis C protease inhibitor	low
gs-5816	carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor	low
mk-8742	carbamate ester; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heterotetracyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor; hepatoprotective agent	low
benefin	C-nitro compound; organofluorine compound; substituted aniline; tertiary amino compound	agrochemical; herbicide	low
celecoxib	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
cgs 12066	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist	low
citalopram	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound		low
diflunisal	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
droperidol	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic	low
enflurane	ether; organochlorine compound; organofluorine compound	anaesthetic	low
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore	low
flecainide	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug	low
flucytosine	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug	low
fludiazepam	1,4-benzodiazepinone; organochlorine compound; organofluorine compound	anxiolytic drug	low
flufenamic acid	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
fluphenazine	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug	low
flumazenil	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist	low
flumequine	3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic		low
fluorouracil	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic	low
fluphenazine depot	decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug	low
vanoxerine	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor	low
haloperidol	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist	low
halothane	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic	low
isoflurane	organofluorine compound	inhalation anaesthetic	low
ketanserin	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist	low
mefloquine hydrochloride	organofluorine compound; piperidines; quinolines; secondary alcohol		low
methoxyflurane	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic	low
ofloxacin	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline		low
pantoprazole	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic	low
pipamperone	aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist	low
risperidone	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	low
ritanserin	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist	low
sb 220025	aminopyrimidine; imidazoles; organofluorine compound; piperidines	angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
sb 202190	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
sevoflurane	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor	low
fluoroacetic acid	haloacetic acid; organofluorine compound	EC 4.2.1.3 (aconitate hydratase) inhibitor	low
spiperone	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist	low
gatifloxacin	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
tosufloxacin	1,8-naphthyridine derivative; amino acid; aminopyrrolidine; monocarboxylic acid; organofluorine compound; primary amino compound; quinolone antibiotic; tertiary amino compound		low
trifluoperazine	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug	low
triflupromazine	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic	low
zardaverine	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug	low
floxuridine	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent	low
trifluridine	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor	low
dinitrofluorobenzene	C-nitro compound; organofluorine compound	agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent	low
1,1-difluoroethylene	olefinic compound; organofluorine compound		low
1,1,1-trifluoro-2-chloroethane	organofluorine compound		low
chloropentafluoroethane	organochlorine compound; organofluorine compound		low
2-fluoroadenosine	adenosines; organofluorine compound		low
perfluorotributylamine	organofluorine compound	blood substitute; greenhouse gas; solvent	low
5-fluorouridine	organofluorine compound; uridines	mutagen	low
5-fluorotryptophan	non-proteinogenic alpha-amino acid; organofluorine compound; tryptophan derivative		low
bromochlorodifluoromethane	one-carbon compound; organobromine compound; organochlorine compound; organofluorine compound		low
difluoroacetic acid	monocarboxylic acid; organofluorine compound		low
fluroxene	organofluorine compound		low
2,3,4,5,6-pentafluorobenzyl alcohol	benzyl alcohols; organofluorine compound		low
2-fluoroadenine	organofluorine compound; purines	antineoplastic agent	low
n-dichlorofluoromethylthio-n',n'-dimethyl-n-p-tolylsulfamide	organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides	antifungal agrochemical; genotoxin	low
hexafluoroisopropanol	organofluorine compound; secondary alcohol	drug metabolite	low
dichlofluanid	organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides	acaricide; antifungal agrochemical	low
pimozide	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist	low
5-fluorocytidine	cytidines; organofluorine compound		low
doxifluridine	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug	low
fludarabine phosphate	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug	low
flunixin	aminopyridine; organofluorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
desflurane	organofluorine compound	inhalation anaesthetic	low
paroxetine	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor	low
acifluorfen	aromatic ether; benzoic acids; C-nitro compound; monocarboxylic acid; organochlorine compound; organofluorine compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	low
triflumuron	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound		low
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid	aminopyridine; aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound	environmental contaminant; herbicide; xenobiotic	low
haloxyfop	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines		low
fluazifop-butyl	aromatic ether; carboxylic ester; organofluorine compound; pyridines		low
fomesafen	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	low
temafloxacin	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound		low
sertindole	heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole	alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist	low
gemcitabine hydrochloride	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent	low
gemcitabine	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic	low
emtricitabine	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor	low
4-fluorofentanyl	monocarboxylic acid amide; organofluorine compound; piperidines		low
efavirenz	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor	low
heptafluorobutyric anhydride	acyclic carboxylic anhydride; organofluorine compound	chromatographic reagent	low
perfluorotripropylamine	organofluorine compound	blood substitute	low
3-fluoropyruvate	2-oxo monocarboxylic acid; organofluorine compound		low
spiramide	aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; serotonergic antagonist	low
flunoxaprofen	1,3-benzoxazoles; monocarboxylic acid; organofluorine compound	antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist	low
halopropane	organofluorine compound		low
enrofloxacin	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent	low
flurithromycin	cyclic ketone; erythromycin derivative; organofluorine compound; semisynthetic derivative	antibacterial drug	low
nebivolol	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound		low
hp 873	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist	low
fluphenacur	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organofluorine compound		low
nucleocidin	6-aminopurines; adenosines; diol; organofluorine compound; sulfamate ester	antibacterial agent; bacterial metabolite; nucleoside antibiotic; protein synthesis inhibitor; trypanocidal drug	low
fluoroacetaldehyde	aldehyde; organofluorine compound	cardiotoxic agent	low
fc 75	alkyltetrahydrofuran; organofluorine compound		low
tetraconazole	dichlorobenzene; ether; organofluorine compound; triazoles		low
hei 712	organofluorine compound; quinolone		low
n-(2,4-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl)phenyl)methanesulfonamide	dichlorobenzene; organofluorine compound; sulfonamide; triazoles	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	low
thifluzamide	1,3-thiazoles; anilide fungicide; aromatic amide; aromatic ether; dibromobenzene; organofluorine compound	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor	low
fludioxonil	benzodioxoles; nitrile; organofluorine compound; pyrroles	androgen antagonist; antifungal agrochemical; estrogen receptor agonist	low
fluquinconazole	conazole fungicide; dichlorobenzene; organofluorine compound; quinazolines; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor	low
cloransulam-methyl	methyl ester; monochlorobenzenes; organofluorine compound; sulfonamide; triazolopyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide	low
fluazifop	aromatic ether; monocarboxylic acid; organofluorine compound; pyridines		low
dithiopyr	organofluorine compound; pyridines; thioester		low
s 53482	benzoxazine; dicarboximide; organofluorine compound; terminal acetylenic compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide; teratogenic agent	low
clodinafop-propargyl	aromatic ether; carboxylic ester; organochlorine compound; organofluorine compound; propyzamide; pyridines	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; herbicide	low
triflusulfuron-methyl	1,3,5-triazines; aromatic ether; benzoate ester; methyl ester; N-sulfonylurea; organofluorine compound; tertiary amino compound	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide	low
novaluron	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound		low
fulvestrant	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist	low
cyfluthrin	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester insecticide	low
fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether	organofluorine compound		low
florfenicol	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent	low
paliperidone	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol		low
sc 58125	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor	low
clofarabine	adenosines; organofluorine compound	antimetabolite; antineoplastic agent	low
5-fluoromethylornithine	organofluorine compound; ornithine derivative	EC 2.6.1.13 (ornithine aminotransferase) inhibitor	low
nitroflurbiprofen	biphenyls; carboxylic ester; nitrate ester; organofluorine compound	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent	low
garenoxacin	aromatic ether; cyclopropanes; isoindoles; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; non-steroidal anti-inflammatory drug	low
5-fluorowillardiine	L-alanine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound	AMPA receptor agonist	low
perfluoro-n-methyldecahydroisoquinoline	organofluorine compound	blood substitute	low
fc 80	alkyltetrahydrofuran; organofluorine compound		low
ezetimibe	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite	low
5-fluorouridine 5'-phosphate	organofluorine compound; pyrimidine ribonucleoside 5'-monophosphate	drug metabolite	low
cox 189	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug	low
canertinib	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	low
jte 522	1,3-oxazoles; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor	low
trifluoromethionine	L-methionine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound		low
lapatinib	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	low
cimicoxib	aromatic ether; imidazoles; organochlorine compound; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug	low
diflomotecan	epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	low
5',5',5'-trifluoroleucine	leucine derivative; non-proteinogenic alpha-amino acid; organofluorine compound		low
sorbinil	azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor	low
linezolid	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor	low
2'-deoxy-2-fluoroadenosine	adenosines; organofluorine compound		low
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine	6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound	antineoplastic agent; Hsp90 inhibitor	low
roflumilast	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor	low
posaconazole	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug	low
efinaconazole	conazole antifungal drug; olefinic compound; organofluorine compound; piperidines; tertiary alcohol; tertiary amino compound; triazole antifungal drug	EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor	low
favipiravir	hydroxypyrazine; organofluorine compound; primary carboxamide	anticoronaviral agent; antiviral drug; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor	low
ck-0944666	benzamides; indoles; organofluorine compound	actin polymerisation inhibitor	low
2-(3-Chloro-2-fluorophenyl)-2,3-dihydroisothiazol-3-one	organofluorine compound		low
4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid	organofluorine compound		low
transfluthrin	carboxylic ester; cyclopropanes; organochlorine compound; organofluorine compound	pyrethroid ester insecticide	low
4-(4-fluorophenyl)-3H-thiazole-2-thione	organofluorine compound		low
2-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole	organofluorine compound		low
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide	organofluorine compound		low
1-(cycloheptylideneamino)-3-(4-fluorophenyl)thiourea	organofluorine compound		low
2-(2-fluorophenyl)-5-phenyl-4-thieno[2,3-d][1,3]oxazinone	organofluorine compound		low
sulindac	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	low
N-cyano-N'-(2-fluorophenyl)carbamimidothioic acid [2-(tert-butylamino)-2-oxoethyl] ester	organofluorine compound		low
N-(4-fluorobenzyl)urea	organofluorine compound		low
N1-(3-chloro-4-fluorophenyl)-2-(methylthio)acetamide	organofluorine compound		low
ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate	ethyl ester; monochlorobenzenes; organofluorine compound; pyrazoles; sulfonamide		low
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate	acetylenic compound; furans; organofluorine compound; thioester; triazoles		low
4-[1-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione	organofluorine compound		low
1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester	organofluorine compound		low
deracoxib	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
zd 6474	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor	low
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline	organic heterotricyclic compound; organofluorine compound; pyridines; secondary amino compound		low
1-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide	organofluorine compound		low
2-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid butyl ester	organofluorine compound		low
sc 560	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug	low
1-[(2-fluorophenyl)methyl]-4-pyrazolamine	organofluorine compound		low
3-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea	organofluorine compound		low
ro 60-0175	indoles; organochlorine compound; organofluorine compound; primary amino compound		low
jtk-303	aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone	HIV-1 integrase inhibitor	low
arachidonyltrifluoromethane	fatty acid derivative; ketone; olefinic compound; organofluorine compound	EC 3.1.1.4 (phospholipase A2) inhibitor	low
cyhalothrin	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide	low
sulindac sulfide	aryl sulfide; monocarboxylic acid; organofluorine compound	antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug	low
bw b70c	aromatic ether; hydroxamic acid; organofluorine compound; ureas	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor	low
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	dihydroxy monocarboxylic acid; indoles; organofluorine compound		low
sulindac sulfone	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor	low
clodinafop	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines	EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; phenoxy herbicide	low
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one	organic heterotetracyclic compound; organofluorine compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
robenacoxib	aromatic amino acid; monocarboxylic acid; organofluorine compound; phenylacetic acids; secondary amino compound	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
acrinathrin	cyclopropanecarboxylate ester; organofluorine compound	pyrethroid ester acaricide; pyrethroid ester insecticide	low
bifenthrin	carboxylic ester; cyclopropanecarboxylate ester; cyclopropanes; organochlorine compound; organofluorine compound	pyrethroid ester acaricide; pyrethroid ester insecticide	low
netupitant	aminopyridine; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; toluenes	antiemetic; neurokinin-1 receptor antagonist	low
flibanserin	benzimidazoles; N-alkylpiperazine; N-arylpiperazine; organofluorine compound	antidepressant; serotonergic agonist; serotonergic antagonist	low
ru 58668	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist	low
nepicastat	1,3-dihydroimidazole-2-thiones; organofluorine compound; primary amino compound; tetralins	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor	low
gw 501516	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist	low
noviflumuron	aromatic ether; benzoylurea insecticide; dichlorobenzene; organofluorine compound		low
flonicamid	nitrile; organofluorine compound; pyridinecarboxamide	environmental contaminant; insecticide; xenobiotic	low
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
paliperidone palmitate	1,2-benzoxazoles; fatty acid ester; heteroarylpiperidine; organofluorine compound; pyridopyrimidine		low
cangrelor	adenosine 5'-phosphate; aryl sulfide; nucleoside triphosphate analogue; organochlorine compound; organofluorine compound; secondary amino compound	P2Y12 receptor antagonist; platelet aggregation inhibitor	low
tafluprost	isopropyl ester; organofluorine compound; prostaglandins Falpha	prostaglandin receptor agonist	low
ticagrelor	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor	low
am 694	aromatic ketone; indoles; organofluorine compound; organoiodine compound; synthetic cannabinoid	cannabinoid receptor agonist	low
rucaparib	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
NNC 55-0396 (free base)	benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker	low
osu 03012	antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
azd 6244	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
bibw 2992	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	low
rolapitant	azaspiro compound; ether; organofluorine compound; piperidines; pyrrolidin-2-ones	antiemetic; neurokinin-1 receptor antagonist	low
r-138727	organofluorine compound		low
fluoxastrobin	aromatic ether; dioxazine; monochlorobenzenes; organofluorine compound; oxime O-ether; pyrimidines; strobilurin antifungal agent	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor	low
flumorph	aromatic ether; enamide; morpholines; organofluorine compound; tertiary carboxamide		low
fluopicolide	benzamide fungicide; benzamides; dichlorobenzene; monochloropyridine; organofluorine compound	antifungal agrochemical	low
gamendazole	alpha,beta-unsaturated monocarboxylic acid; dichlorobenzene; indazoles; olefinic compound; organofluorine compound	antispermatogenic agent; eukaryotic translation elongation factor 1alpha 1 inhibitor; Hsp90 inhibitor; synthetic oral contraceptive	low
rx-3117	organofluorine compound; primary allylic alcohol; triol	antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug	low
picoxystrobin	aromatic ether; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; organofluorine compound; pyridines	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor	low
penthiopyrad	aromatic amide; organofluorine compound; pyrazoles; thiophenes		low
tavaborole	benzoxaborole; organofluorine compound	antifungal agent; EC 6.1.1.4 (leucine--tRNA ligase) inhibitor; protein synthesis inhibitor	low
tembotrione	aromatic ketone; beta-triketone; cyclic ketone; ether; monochlorobenzenes; organofluorine compound; sulfone	agrochemical; carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide	low
finafloxacin	cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound	antibacterial drug; antimicrobial agent	low
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
idelalisib	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
zstk474	benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
trifloxystrobin	methoxyiminoacetate strobilurin antifungal agent; methyl ester; organofluorine compound; oxime O-ether	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor	low
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide	aromatic amide; organofluorine compound; pyrazoles		low
n-(2-(1,1'-bicyclopropyl)-2-ylphenyl)-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide	aromatic amide; cyclopropanes; organofluorine compound; pyrazoles; ring assembly		low
trametinib	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector	low
butafenacil	benzoate ester; diester; monochlorobenzenes; olefinic compound; organofluorine compound	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	low
bgt226	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
buparlisib	aminopyridine; aminopyrimidine; morpholines; organofluorine compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
lumacaftor	aromatic amide; benzodioxoles; benzoic acids; cyclopropanes; organofluorine compound; pyridines	CFTR potentiator; orphan drug	low
ro5126766	aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
sulfoxaflor	nitrile; organofluorine compound; pyridines; sulfoximide		low
azd 7545	benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide	EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent	low
ph 797804	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
lde225	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist	low
dafadine D	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; organofluorine compound; pyridines	P450 inhibitor	low
canagliflozin	C-glycosyl compound; organofluorine compound; thiophenes	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor	low
florbetapir f 18	(18)F radiopharmaceutical; aromatic ether; organofluorine compound; pyridines; substituted aniline	radioactive imaging agent	low
navitoclax	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
dcc-2036	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor	low
cabozantinib	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor	low
pexidartinib	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
TAK-580	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor	low
dabrafenib	1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide	anticoronaviral agent; antineoplastic agent; B-Raf inhibitor	low
sofosbuvir	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug	low
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid	organofluorine compound	non-steroidal anti-inflammatory drug	low
torin 1	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor	low
ro 4929097	dibenzoazepine; dicarboxylic acid diamide; lactam; organofluorine compound	EC 3.4.23.46 (memapsin 2) inhibitor	low
torin 2	aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline	antineoplastic agent; mTOR inhibitor	low
gsk2656157	biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor	low
N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide	aromatic amide; bridged compound; olefinic compound; organochlorine compound; organofluorine compound; pyrazoles		low
pacific blue succinimidyl ester	hydroxycoumarin; N-hydroxysuccinimide ester; organofluorine compound	fluorochrome	low
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide	aromatic amide; monocarboxylic acid amide; organofluorine compound; pyrazoles; trichlorobenzene		low
oxathiapiprolin	1,3-thiazoles; isoxazoline; N-acylpiperidine; organofluorine compound; pyrazoles; tertiary carboxamide		low
5-[[5-(4-fluoro-2-hydroxyphenyl)-2-furanyl]methylidene]thiazolidine-2,4-dione	halophenol; organofluorine compound		low
LimKi 3	1,3-thiazoles; dichlorobenzene; organofluorine compound; pyrazoles; secondary carboxamide	LIM kinase inhibitor	low
ivosidenib	cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
as 1842856	organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound	anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent	low
praliciguat	aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol	anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent	low
enasidenib	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
MMP-9-IN-1	aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor	low
5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine	organofluorine compound		low
nirmatrelvir	azabicyclohexane; nitrile; organofluorine compound; pyrrolidin-2-ones; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor	low
dimethadione	oxazolidinone		low
trimethadione	oxazolidinone	anticonvulsant; geroprotector	low
paramethadione	oxazolidinone	anticonvulsant	low
toloxatone	oxazolidinone; primary alcohol; toluenes		low
vinclozolin	dicarboximide; dichlorobenzene; olefinic compound; oxazolidinone		low
dichlozolinate	dicarboximide; dichlorobenzene; ethyl ester; oxazolidinone		low
oxadixyl	anilide fungicide; aromatic amide; carbohydrazide; ether; oxazolidinone	agrochemical	low
zolmitriptan	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent	low
3-amino-2-oxazolidinone	oxazolidinone		low
3-isoxazolidone	oxazolidinone		low
famoxadone	aromatic ether; carbohydrazide; oxazolidinone		low
2-oxa-4-azatetracyclo[6.3.1.16,10.01,5]tridecan-3-one	oxazolidinone		low
3-amino-5-morpholinomethyl-2-oxazolidinone	morpholines; oxazolidinone	marine xenobiotic metabolite; xenobiotic metabolite	low
rivaroxaban	aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor	low
3-cyanopyridine	nitrile; pyridines		low
2-(3-pyridine)acetic acid	monocarboxylic acid; pyridines	human xenobiotic metabolite	low
nicotine 1-n-oxide	pyridines; pyrrolidine N-oxides		low
norcotinine	pyridines; pyrrolidines		low
4-oxo-4-(3-pyridyl)butanoic acid	aromatic ketone; monocarboxylic acid; pyridines		low
pyridine	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound	low
carbinoxamine	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist	low
chlorpheniramine	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor	low
disopyramide	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug	low
doxylamine	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative	low
fusaric acid	aromatic carboxylic acid; pyridines		low
iproniazid	carbohydrazide; pyridines		low
lansoprazole	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor	low
niflumic acid	aromatic carboxylic acid; pyridines		low
omeprazole	aromatic ether; benzimidazoles; pyridines; sulfoxide		low
pheniramine	pyridines; tertiary amino compound		low
pinacidil	pyridines		low
pioglitazone	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic	low
pirbuterol	pyridines		low
pyridinolcarbamate	pyridines		low
quipazine	piperazines; pyridines		low
rabeprazole	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor	low
risedronic acid	pyridines		low
imatinib	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor	low
streptonigrin	pyridines; quinolone	antimicrobial agent; antineoplastic agent	low
sulfapyridine	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic	low
tazarotene	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent	low
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine	N-substituted diamine; pyridines; tertiary amino compound	apoptosis inducer; chelator; copper chelator	low
thurfyl nicotinate	aromatic carboxylic acid; pyridines		low
brompheniramine	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist	low
methyl nicotinate	aromatic carboxylic acid; pyridines		low
citrazinic acid	aromatic carboxylic acid; pyridines		low
nicotinyl alcohol	aromatic primary alcohol; pyridines	antilipemic drug; vasodilator agent	low
beta-nicotyrine	pyridines		low
3-ethylpyridine	pyridines		low
2-Pyridinylmethanol	pyridines		low
nicoboxil	aromatic carboxylic acid; pyridines		low
clopyralid	organochlorine pesticide; pyridines	herbicide	low
oxiniacic acid	aromatic carboxylic acid; pyridines		low
2-(aminomethyl)pyridine	pyridines		low
propiram	pyridines		low
n'-nitrosonornicotine	pyridines; pyrrolidines		low
[4-(2-pyridinyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone	piperazines; pyridines		low
5-hydroxynicotinic acid	aromatic carboxylic acid; pyridines		low
n-cyano-n'-(1,1-dimethylpropyl)-n''-(3-pyridinyl)guanidine	pyridines		low
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone	nitrosamine; pyridines		low
imazapyr, (+-)-isomer	imidazolines; imidazolone; pyridinemonocarboxylic acid; pyridines		low
imazethapyr	aromatic carboxylic acid; pyridines		low
2,2'-dipyridyl disulfide	organic disulfide; pyridines	oxidising agent	low
droxicam	organic heterotricyclic compound; pyridines	cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug	low
methyridine	pyridines		low
picosulfate sodium	aryl sulfate; pyridines		low
2-hydroxynicotinic acid	aromatic carboxylic acid; pyridines		low
ethylnicotinate	aromatic carboxylic acid; pyridines		low
nicametate	aromatic carboxylic acid; pyridines		low
nicotinamide n-oxide	pyridines		low
nicosulfuron	N-sulfonylurea; pyridines; pyrimidines	environmental contaminant; herbicide; xenobiotic	low
4,4'-dipyridyl disulfide	organic disulfide; pyridines		low
2-Chloronicotinic acid	aromatic carboxylic acid; pyridines		low
4-methoxymethylpyridoxine	pyridines		low
6-chloronicotinic acid	aromatic carboxylic acid; pyridines		low
2-pyridylacetic acid	pyridines		low
pyriproxyfen	aromatic ether; pyridines	juvenile hormone mimic	low
thiazopyr	aromatic carboxylic acid; pyridines		low
dpx e9636	aromatic ether; N-sulfonylurea; pyridines; pyrimidines; sulfone	environmental contaminant; herbicide; xenobiotic	low
flazasulfuron	pyridines; sulfonamide		low
2,6-dichloroisonicotinic acid	monocarboxylic acid; organochlorine compound; pyridines	EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor	low
difenpiramide	biphenyls; monocarboxylic acid amide; pyridines	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol	nitrosamine; pyridines; secondary alcohol	biomarker; carcinogenic agent; human urinary metabolite	low
hydroxycotinine	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid		low
5-hydroxymethylomeprazole	aromatic ether; benzimidazoles; pyridines; sulfoxide	drug metabolite	low
forasartan	benzenes; pyridines; tetrazoles; triazoles	angiotensin receptor antagonist; antihypertensive agent	low
abiraterone	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor	low
agn 190299	monocarboxylic acid; pyridines; retinoid; thiochromane	keratolytic drug; teratogenic agent	low
vatalanib	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	low
metyrapol	pyridines		low
sb 203580	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	low
aminopyralid	aromatic amine; organochlorine pesticide; pyridines	herbicide	low
dabigatran etexilate	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; carboxylic ester; pyridines	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug	low
dabigatran	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; pyridines	anticoagulant; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; EC 3.4.21.5 (thrombin) inhibitor	low
alpha-(trichloromethyl)-4-pyridineethanol	pyridines		low
6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile	nitrile; pyridines		low
gant58	pyridines		low
3-(3-pyridinyl)propanoic acid	pyridines		low
rosoxacin	pyridines; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antiinfective agent	low
gant 61	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor	low
e 3040	benzothiazoles; organic hydroxy compound; pyridines; secondary amino compound	anti-inflammatory drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; uricosuric drug	low
E3040 glucuronide	benzothiazoles; beta-D-glucosiduronic acid; pyridines; secondary amino compound	xenobiotic metabolite	low
cerivastatin	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)		low
hts 466284	pyrazoles; pyridines; quinolines	TGFbeta receptor antagonist	low
prinomastat	aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor	low
6-methyl-2-oxo-5-[oxo-(1-phenylethylamino)methyl]-1H-pyridine-3-carboxylic acid ethyl ester	aromatic carboxylic acid; pyridines		low
5-(2-furanyl)-3-(3-pyridinyl)-1,2,4-oxadiazole	pyridines		low
1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone	pyridines		low
s 1033	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	low
2-pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-oxolanecarboxamide	pyridines		low
5-(4-propylcyclohexyl)-3-(3-pyridinyl)-1,2,4-oxadiazole	pyridines		low
N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]-3-oxolanecarboxamide	pyridines		low
2-methoxy-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]acetamide	pyridines		low
6-methyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile	piperazines; pyridines		low
[5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidinylmethyl)-3-pyridinecarbonitrile	nitrile; pyridines		low
5,8-dimethoxy-4-(4-methyl-1-piperazinyl)-2-(trifluoromethyl)quinoline	piperazines; pyridines		low
5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile	nitrile; pyridines		low
8-(2-furanyl)-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile	piperazines; pyridines		low
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide	acetamides; piperidines; pyridines; sulfonamide		low
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline	pyridines; pyrrolidines; quinazolines		low
2-methyl-3-phenyl-5-propyl-7-[4-(2-pyridinyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine	piperazines; pyridines		low
prothionamide	pyridines		low
N2-(4-fluorophenyl)-6-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,3,5-triazine-2,4-diamine	piperazines; pyridines		low
1-(4-methyl-1,2,5-oxadiazol-3-yl)-3-(3-pyridinyl)urea	pyridines		low
N-(3-fluorophenyl)-2-(pyridin-4-yl)quinazolin-4-amine	aromatic amine; monofluorobenzenes; pyridines; quinazolines; secondary amino compound; substituted aniline		low
5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid ethyl ester	aromatic carboxylic acid; pyridines		low
2-(1H-imidazol-1-yl)-5-(trifluoromethyl)pyridine	pyridines		low
5-(3-pyridinylmethyl)-1,3,5-triazinane-2-thione	pyridines		low
2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile	nitrile; pyridines		low
4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile	nitrile; pyridines		low
GS4012 free base	aryl sulfide; monomethoxybenzene; pyridines	VEGF activator	low
5-(phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole	pyridines		low
4-(methoxymethyl)-6-methyl-2-(4-phenyl-1-piperazinyl)-3-pyridinecarbonitrile	piperazines; pyridines		low
1-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-benzo[cd]indolone	piperazines; pyridines		low
cotinine	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite	low
1-propylsulfonyl-4-(2-pyridinyl)piperazine	piperazines; pyridines		low
2-(2-phenylethylthio)-3-pyridinecarboxylic acid	aromatic carboxylic acid; pyridines		low
1,3-benzothiazol-2-yl-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
2-(2,6-dichloroanilino)-3-pyridinesulfonamide	pyridines; sulfonamide		low
4-(4-chloroanilino)-3-pyridinesulfonamide	pyridines; sulfonamide		low
6-(2-oxopropylthio)-3-pyridinecarboxylic acid	aromatic carboxylic acid; pyridines		low
6-chloro-N-(2-hydroxyphenyl)-3-pyridinesulfonamide	pyridines; sulfonamide		low
3-(phenylmethyl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole	pyridines; triazolothiadiazole		low
6-(4-benzoyl-1-piperazinyl)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile	piperazines; pyridines		low
5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)-3-pyridinesulfonamide	pyridines; sulfonamide		low
pyrabactin	naphthalenes; organobromine compound; pyridines; sulfonamide	abscisic acid receptor agonist; hormone; plant growth regulator	low
4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline	piperazines; pyridines		low
2-(4-bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone	piperazines; pyridines		low
(4-chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
7-chloro-4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]quinoline	piperazines; pyridines		low
1-ethyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile	pyridines		low
7-methoxy-2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-quinolinecarbonitrile	piperazines; pyridines		low
6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile	nitrile; pyridines		low
5-cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester	piperazines; pyridines		low
N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine	pyridines; quinazolines; tertiary amino compound		low
4,6-dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile	nitrile; pyridines		low
2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
mcb-613	cyclic ketone; enone; pyridines	antineoplastic agent; steroid receptor coactivator stimulator	low
5,6-dichloro-3-pyridinecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
4-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
2-oxo-1H-pyridine-3-carboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
2-thiopyridine	aryl thiol; pyridines	allergen; fluorescence quencher	low
2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile	nitrile; pyridines		low
2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile	nitrile; pyridines		low
N-benzyl-N'-methyl-N-(pyridin-3-ylmethyl)thiourea	pyridines		low
3-Chloro-5-(trifluoromethyl)pyridine-2-carbothioamide	pyridines		low
2,6-dimethyl-4-(3-thienyl)pyridine-3,5-dicarboxylic acid	aromatic carboxylic acid; pyridines		low
N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide	piperazines; pyridines		low
5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylic acid methyl ester	aromatic carboxylic acid; pyridines		low
ethionamide	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug	low
2-amino-6-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]pyridine-3,5-dicarbonitrile	piperazines; pyridines		low
2-(propylthio)nicotinic acid	aromatic carboxylic acid; pyridines		low
5-Chloro-2-hydroxy-4,6-dimethylnicotinonitrile	nitrile; pyridines		low
3-[1-(2,4-dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridine	pyridines; pyrrolidines		low
(3,5-dichlorophenyl)-[4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinyl]methanone	piperazines; pyridines		low
3-[5-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]isoxazole	piperazines; pyridines		low
2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile	nitrile; pyridines		low
4-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-7-chloroquinoline	piperazines; pyridines		low
3,7-dimethyl-2-[4-(2-pyridinyl)-1-piperazinyl]quinoline	piperazines; pyridines		low
3-phenyl-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone	piperazines; pyridines		low
4-phenoxy-1-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone	piperazines; pyridines		low
2-[4-(2-methyl-4-quinolinyl)-1-piperazinyl]-4-phenylthiazole	piperazines; pyridines		low
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenyl-3-pyridinesulfonamide	pyridines; sulfonamide		low
alpha-nicotyrine	pyridines		low
dapiprazole	N-alkylpiperazine; N-arylpiperazine; pyridines	alpha-adrenergic antagonist; antipsychotic agent; miotic; ophthalmology drug	low
glucitol hexanicotinate	aromatic carboxylic acid; pyridines		low
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide	benzodioxoles; pyridines; secondary carboxamide; tertiary carboxamide; trifluoroacetamide		low
1-methyl-4-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-2-quinolinone	piperazines; pyridines		low
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-pyridinylthio)methyl]-4-triazolecarboxylic acid propan-2-yl ester	aryl sulfide; azole; isopropyl ester; oxadiazole; pyridines		low
6-bromo-3-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one	piperazines; pyridines		low
N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1,3-benzodioxole-5-carboxamide	piperazines; pyridines		low
4-[2-(1-cyclohexenyl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione	piperazines; pyridines		low
ml012	piperazines; pyridines		low
[4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone	piperazines; pyridines		low
N-(2-furanylmethyl)-N'-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]butanediamide	piperazines; pyridines		low
[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
2-pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
2-[(5-formyl-2-methoxyphenyl)methylthio]-3-pyridinecarboxylic acid	aromatic carboxylic acid; pyridines		low
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
3-(4-benzoyl-1-piperazinyl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile	piperazines; pyridines		low
5-cyano-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester	piperazines; pyridines		low
2-[4-(3-chlorophenyl)-1-piperazinyl]-3-pyridinecarboxylic acid propan-2-yl ester	isopropyl ester; piperazines; pyridines		low
3-(1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl)pyridine	pyridines		low
[4-[(2-chlorophenyl)methylsulfonyl]-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
2-pyridinecarboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
hydroxypioglitazone	aromatic ether; pyridines; thiazolidinediones	human xenobiotic metabolite	low
2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
3-(4-ethylphenyl)-4-hydroxy-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1H-quinazolin-2-one	piperazines; pyridines		low
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide	benzamides; benzodioxoles; imidazoles; pyridines	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine	aromatic amine; piperidines; pyridines; quinazolines; secondary amino compound; tertiary amino compound		low
abt724	piperazines; pyridines		low
2-(4-acetyl-1-piperazinyl)-6-amino-4-(cyanomethyl)pyridine-3,5-dicarbonitrile	piperazines; pyridines		low
triprolidine	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist	low
pibutidine	aromatic ether; cyclobutenones; olefinic compound; piperidines; primary amino compound; pyridines; secondary amino compound	anti-ulcer drug; H2-receptor antagonist	low
acrivastine	alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist	low
2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile	nitrile; pyridines		low
[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-2-pyrazinecarboxamide	piperazines; pyridines		low
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one	enone; pyridines	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor	low
[4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
axitinib	aryl sulfide; benzamides; indazoles; pyridines	antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist	low
2-[4-(2-pyrimidinyl)-1-piperazinyl]quinoline	piperazines; pyridines		low
(2-Chloro-4-pyridinyl)methanol	organohalogen compound; pyridines		low
pymetrozine	1,2,4-triazines; pyridines	antifeedant; environmental contaminant; TRPV channel modulator; xenobiotic	low
abiraterone acetate	pyridines; sterol ester	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor; prodrug	low
mocetinostat	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	low
n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamide	piperazines; pyridines		low
4-(1H-imidazol-5-ylmethyl)pyridine	pyridines		low
680c91	fluoroindole; olefinic compound; pyridines	EC 1.13.11.11 (tryptophan 2,3-dioxygenase) inhibitor	low
masitinib	1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines	antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor	low
azd2858	aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide	antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	low
ciclonicate	aromatic carboxylic acid; pyridines		low
chlorantranilipole	monochlorobenzenes; organobromine compound; pyrazole insecticide; pyrazoles; pyridines; secondary carboxamide	ryanodine receptor agonist	low
dorsomorphin	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor	low
cyantraniliprole	nitrile; organobromine compound; organochlorine compound; pyrazole insecticide; pyridines; secondary carboxamide	ryanodine receptor agonist	low
GDC-0879	indanes; ketoxime; primary alcohol; pyrazoles; pyridines	antineoplastic agent; B-Raf inhibitor	low
[4-(3-chlorophenyl)-1-piperazinyl]-[1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinyl]methanone	piperazines; pyridines		low
dafadine C	aromatic amide; aromatic ether; difluorobenzene; isoxazoles; N-acylpiperidine; pyridines	P450 inhibitor	low
dafadine B	aromatic amide; aromatic ether; isoxazoles; monochlorobenzenes; monofluorobenzenes; N-acylpiperidine; pyridines	P450 inhibitor	low
1-butyl-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-1-methylthiourea	piperazines; pyridines		low
cnf 2024	2-aminopurines; aromatic ether; organochlorine compound; pyridines	antineoplastic agent; Hsp90 inhibitor	low
gdc 0449	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent	low
bms 754807	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines	geroprotector; P450 inhibitor	low
dafadine O	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines; ring assembly	P450 inhibitor	low
sch772984	biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide	analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
gsk 2126458	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent	low
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridinylsulfonyl)piperazine	pyridines; sulfonamide		low
ml228 probe	1,2,4-triazines; biphenyls; pyridines; secondary amino compound	hypoxia-inducible factor pathway activator	low
lgk974	bipyridines; pyrazines; pyridines; secondary carboxamide	Wnt signalling inhibitor	low
N-(4,6-dimethyl-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide	piperazines; pyridines		low
afidopyropen	cyclopropanecarboxylate ester; organic heterotetracyclic compound; pyridines; secondary alcohol	agrochemical; insecticide; TRPV channel modulator	low
piroxicam	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	low
mobiflex	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
lornoxicam	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
MK-8353	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
gsk-2816126	piperazines; pyridines		low
acp-196	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
GSK1059615	pyridines; quinolines; thiazolidinone	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
pf-06687252	azabicycloalkane; enone; phenols; pyridines		low
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile	hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor	low
sb-590885	aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound		low
dabigatran etexilate	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; carboxylic ester; pyridines	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug	low
acitazanolast	tetrazoles		low
azosemide	monochlorobenzenes; sulfonamide; tetrazoles; thiophenes	loop diuretic	low
cilostazol	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	low
ly 171883	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist	low
cefazolin	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug	low
cefminox	cephamycin; tetrazoles		low
gr 117289	1-benzofurans; biaryl; imidazolyl carboxylic acid; monocarboxylic acid; organobromine compound; organochlorine compound; tetrazoles	angiotensin receptor antagonist; antihypertensive agent	low
a 8947	aromatic ether; biaryl; N-sulfonylurea; pyrazole pesticide; tetrazoles	EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide	low
5-(4-methylphenyl)-2H-tetrazole	tetrazoles		low
5-(3,4-dimethoxyphenyl)-2H-tetrazole	tetrazoles		low
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide	tetrazoles		low
1-[2,5-diethoxy-4-(1-tetrazolyl)phenyl]sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine	tetrazoles		low
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide	tetrazoles		low
1-(4-chlorophenyl)sulfonyl-N-[3-methoxy-4-(1-tetrazolyl)phenyl]-4-piperidinecarboxamide	tetrazoles		low
3-[5-(4-ethylphenyl)-2-tetrazolyl]propanoic acid methyl ester	tetrazoles		low
N,N-bis(but-2-ynyl)-3-methoxy-4-(1-tetrazolyl)benzenesulfonamide	tetrazoles		low
2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(1-tetrazolyl)benzenesulfonamide	tetrazoles		low
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylpropanamide	tetrazoles		low
N-(3-bicyclo[2.2.1]heptanyl)-2-[5-(4-chlorophenyl)-2-tetrazolyl]acetamide	tetrazoles		low
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]ethanone	dibenzoazepine; tetrazoles		low
N-(3-methoxyphenyl)-1-[4-(1-tetrazolyl)phenyl]sulfonyl-3-piperidinecarboxamide	tetrazoles		low
2-[5-(3,4-diethoxyphenyl)-2-tetrazolyl]-N-(3-methoxyphenyl)acetamide	tetrazoles		low
1-phenyl-5-mercaptotetrazole	tetrazoles		low
N-cyclopentyl-2-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]acetamide	tetrazoles		low
5-(4-propan-2-ylphenyl)-2H-tetrazole	tetrazoles		low
1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole	tetrazoles		low
N-(4-acetamidophenyl)-2-[[1-(4-ethylphenyl)-5-tetrazolyl]thio]acetamide	tetrazoles		low
2-[5-(2-fluorophenyl)-2-tetrazolyl]-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide	tetrazoles		low
N2-phenyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine	tetrazoles		low
3-[1-(4-chlorophenyl)-5-tetrazolyl]-1-methyl-4-quinolinone	tetrazoles		low
3-(2-phenyl-5-tetrazolyl)pyridine	tetrazoles		low
N2,N2-dimethyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine	tetrazoles		low
N-(2-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-tetrazolyl]acetamide	tetrazoles		low
5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole	tetrazoles		low
5-[2-(2-methoxyphenoxy)ethylthio]-1-(4-methylphenyl)tetrazole	tetrazoles		low
7-[[[1-(2-methylphenyl)-5-tetrazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone	tetrazoles		low
2-[4-[(1-phenyl-5-tetrazolyl)oxy]phenyl]-1,3,4-oxadiazole	tetrazoles		low
N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-5-tetrazolamine	tetrazoles		low
2-[[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]methyl]-1,3-benzothiazole	tetrazoles		low
2,4-dimethyl-5-[2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester	tetrazoles		low
1-[[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-tetrazolyl]-1-oxoethyl]amino]-3-(4-chlorophenyl)thiourea	tetrazoles		low
3-[1-(3,5-dichlorophenyl)-5-tetrazolyl]-5-methylisoxazole	tetrazoles		low
1-(2-benzofuranyl)-2-[[1-(2,4,6-trimethylphenyl)-5-tetrazolyl]thio]ethanone	tetrazoles		low
4-[2,2-bis(1-phenyl-5-tetrazolyl)ethenyl]-N,N-dimethylaniline	tetrazoles		low
3-[(1-phenyl-5-tetrazolyl)thio]-2-oxolanone	tetrazoles		low
N-(5-chloro-2-pyridinyl)-2-[(1-phenyl-5-tetrazolyl)thio]propanamide	tetrazoles		low
1-(2-methoxy-5-methylphenyl)-5-(2-oxanylmethylthio)tetrazole	tetrazoles		low
5-[4-(1-imidazolyl)phenoxy]-1-phenyltetrazole	tetrazoles		low
N-(2-oxolanylmethyl)-3-(1-tetrazolyl)benzamide	tetrazoles		low
N'-[2-(4-methylphenoxy)-1-oxoethyl]-2-(5-phenyl-2-tetrazolyl)acetohydrazide	tetrazoles		low
N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]-(2-furanylmethyl)amino]hexanamide	tetrazoles		low
N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]-3-hydroxyanilino)-2-(1H-indol-3-yl)acetamide	tetrazoles		low
N-cyclohexyl-2-[3-methoxy-N-(1-oxo-2-thiophen-2-ylethyl)-4-(1-tetrazolyl)anilino]-2-(4-methylphenyl)acetamide	tetrazoles		low
2-[2-[[2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester	tetrazoles		low
cefteram pivoxil	1,3-thiazoles; cephams; oxime O-ether; pivaloyloxymethyl ester; tetrazoles		low
3-[2-(4-fluorophenyl)-5-tetrazolyl]-2-methoxypyridine	tetrazoles		low
4-[2-(4-fluorophenyl)-5-tetrazolyl]quinoline	tetrazoles		low
2-chloro-3-[2-(4-methylphenyl)-5-tetrazolyl]pyridine	tetrazoles		low
3-[2-(4-methylphenyl)-5-tetrazolyl]quinoline	tetrazoles		low
2-chloro-3-[2-(3,4-dichlorophenyl)-5-tetrazolyl]pyridine	tetrazoles		low
fostriecin	2-pyranones; olefinic compound; phosphate monoester; polyketide; primary allylic alcohol; secondary allylic alcohol; triol	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; topoisomerase II inhibitor	low
PF-07304814	aromatic ether; indolecarboxamide; L-leucine derivative; phosphate monoester; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; prodrug	low

Substance	Classes	Roles	Relationship Strength
citric acid, anhydrous	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite	low
fosmidomycin	hydroxamic acid; phosphonic acids	antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor	low
chlorocresol	hydroxytoluene; monochlorobenzenes	antimicrobial agent; disinfectant; ryanodine receptor agonist	low
bromodiphenhydramine	organobromine compound; tertiary amino compound	antimicrobial agent; H1-receptor antagonist; muscarinic antagonist	low
ciprofloxacin	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic	low
clioquinol	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator	low
embelin	dihydroxy-1,4-benzoquinones	antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite	low
lomefloxacin	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent	low
metronidazole	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic	low
nalidixic acid	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor	low
oxolinic acid	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor	low
oxyphenbutazone	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite	low
patulin	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite	low
sulfadiazine	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic	low
streptonigrin	pyridines; quinolone	antimicrobial agent; antineoplastic agent	low
sulfacetamide	N-sulfonylcarboxamide; substituted aniline	antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor	low
sulfadimethoxine	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic	low
sulfamethazine	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic	low
sulfamethizole	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor	low
sulfamethoxazole	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic	low
gatifloxacin	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
chloramphenicol	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor	low
allyl isothiocyanate	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite	low
cephalothin	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent	low
methylene blue	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	low
linalool	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component	low
propylparaben	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent	low
alpha phellandrene	cyclohexadiene; phellandrene	antimicrobial agent; plant metabolite; volatile oil component	low
triclocarban	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic	low
liriodenine	alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid	antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
carvacrol	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component	low
hadacidin	aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid	antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent	low
sulfamoxole	oxazole; sulfonamide antibiotic; sulfonamide	antimicrobial agent; drug allergen	low
vancomycin	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite	low
spectinomycin	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite	low
2-methoxy-1,4-naphthoquinone	1,4-naphthoquinones; enol ether	antimicrobial agent; metabolite; plant metabolite	low
pentadecanal	2,3-saturated fatty aldehyde; long-chain fatty aldehyde	antimicrobial agent; plant metabolite; volatile oil component	low
1-octen-3-ol	alkenyl alcohol; medium-chain fatty alcohol	antimicrobial agent; fungal metabolite; insect attractant; volatile oil component	low
cephaloglycin	beta-lactam antibiotic allergen; cephalosporin	antimicrobial agent	low
streptomycin	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor	low
nitroxoline	C-nitro compound; monohydroxyquinoline	antifungal agent; antiinfective agent; antimicrobial agent; renal agent	low
mitomycin a	ether; mitomycin	alkylating agent; antimicrobial agent; antineoplastic agent; toxin	low
thiamphenicol	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent	low
streptozocin	N-acylglucosamine; N-nitrosoureas	antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite	low
ribostamycin	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite	low
5-chloro-2-methyl-4-isothiazolin-3-one	1,2-thiazoles; organochlorine compound	antimicrobial agent; environmental contaminant; xenobiotic	low
nigericin	polycyclic ether	antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore	low
tobramycin	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin	low
amikacin	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin	low
imidazolidinyl urea	ureas	antimicrobial agent	low
2-methyl-4-isothiazolin-3-one	1,2-thiazoles	antifouling biocide; antifungal agent; antimicrobial agent	low
epirubicin	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
spectinomycin dihydrochloride	hydrochloride	antibacterial drug; antimicrobial agent	low
propamidine	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug	low
hexamidine	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug	low
sinefungin	adenosines; non-proteinogenic alpha-amino acid	antifungal agent; antimicrobial agent	low
propamidine isethionate	guanidinium salt; organosulfonate salt	antimicrobial agent; antiseptic drug	low
lupulon	beta-bitter acid	angiogenesis inhibitor; antimicrobial agent; antineoplastic agent; apoptosis inducer	low
lomefloxacin hydrochloride	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent	low
arbekacin	aminoglycoside; kanamycins	antibacterial agent; antibacterial drug; antimicrobial agent; protein synthesis inhibitor	low
enrofloxacin	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent	low
vexibinol	(2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone	antimalarial; antimicrobial agent; antioxidant; plant metabolite	low
furanomycin	dihydrofuran; non-proteinogenic L-alpha-amino acid	antibacterial agent; antimicrobial agent; bacterial metabolite	low
benzoylmetronidazole	benzoate ester	antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; prodrug	low
primin	1,4-benzoquinones	allergen; antifeedant; antimicrobial agent; hapten; metabolite	low
tosufloxacin, 4-toluene sulfonate	racemate	antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; hepatotoxic agent; topoisomerase IV inhibitor	low
1-phenazinecarboxylic acid	aromatic carboxylic acid; monocarboxylic acid; phenazines	antifungal agent; antimicrobial agent; bacterial metabolite	low
florfenicol	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent	low
cubebin	benzodioxoles; cyclic acetal; lactol; lignan; secondary alcohol	analgesic; anti-inflammatory agent; antimicrobial agent; histamine antagonist; plant metabolite; trypanocidal drug	low
olivomycin a	olivomycin; secondary alpha-hydroxy ketone	antimicrobial agent	low
tazobactam	penicillanic acids; triazoles	antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor	low
ay 25545	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite	low
3,3'-neotrehalosadiamine	amino disaccharide; glycosyl glycoside derivative	antimicrobial agent; metabolite	low
aclacinomycin	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite	low
i-677	L-serine derivative; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; antineoplastic agent; metabolite	low
pannarin	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite	low
sclareol	labdane diterpenoid	antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite	low
enniatin b	enniatin	antimicrobial agent	low
bisdechlorogeodin	1-benzofurans; cyclohexadiene; methyl ester; oxaspiro compound	antimicrobial agent	low
ml 236a	2-pyranones; carbobicyclic compound; hexahydronaphthalenes; polyketide; secondary alcohol	antiatherosclerotic agent; anticholesteremic drug; antilipemic drug; antimicrobial agent; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; fungal metabolite	low
chloroorienticin b	cyclic ether; glycopeptide; heterodetic cyclic peptide; monosaccharide derivative; organochlorine compound; polyphenol	antimicrobial agent; bacterial metabolite	low
fumagillol	secondary alcohol; sesquiterpenoid; spiro-epoxide	antimicrobial agent	low
anisomycin	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor	low
acivicin	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite	low
puromycin	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	low
silver sulfadiazine	pyrimidines; silver salt; sulfonamidate	antibacterial drug; antimicrobial agent	low
mycophenolic acid	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic	low
fosfomycin	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor	low
aclarubicin	aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion	antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
aphidicolin	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite	low
azaserine	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite	low
antofine	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite	low
cannabidiol	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite	low
lincomycin	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite	low
valinomycin	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore	low
sf 2370	bridged compound; gamma-lactam; methyl ester; organic heterooctacyclic compound	antimicrobial agent; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; tropomyosin-related kinase B receptor antagonist	low
chuangxinmycin	indole alkaloid; monocarboxylic acid; thiinoindole	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor	low
telavancin	glycopeptide	antibacterial drug; antimicrobial agent	low
apramycin	2-deoxystreptamine derivative; aminoglycoside; organic heterobicyclic compound	antibacterial drug; antimicrobial agent	low
fraxetin	aromatic ether; hydroxycoumarin	anti-inflammatory agent; antibacterial agent; antimicrobial agent; antioxidant; apoptosis inducer; apoptosis inhibitor; Arabidopsis thaliana metabolite; hepatoprotective agent; hypoglycemic agent	low
quercetin 3-o-methyl ether	monomethoxyflavone; tetrahydroxyflavone	antimicrobial agent; metabolite	low
galangin	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite	low
mangostin	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite	low
maytansine	alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound	antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator	low
cerulenin	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor	low
acetylspiramycin	acetate ester; aldehyde; disaccharide derivative; ether; macrolide; tertiary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite	low
ly 163892	carbacephem; zwitterion	antibacterial drug; antimicrobial agent	low
geldanamycin	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor	low
herbimycin	1,4-benzoquinones; lactam; macrocycle	antimicrobial agent; apoptosis inducer; herbicide; Hsp90 inhibitor; tyrosine kinase inhibitor	low
n-cinnamoyltyramine	cinnamamides; phenols; secondary carboxamide	allelochemical; antimicrobial agent; phytoalexin; platelet aggregation inhibitor	low
reumycin	carbonyl compound; pyrimidotriazine	antimicrobial agent; antineoplastic agent; bacterial metabolite	low
bialaphos	phosphinic acids; tripeptide	antimicrobial agent; bacterial metabolite	low
rifamycin sv	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite	low
mastoparan	mastoparans; peptidyl amide	antimicrobial agent	low
sulfacetamide sodium	hydrate; organic sodium salt	antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor	low
rifaximin	acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative	antimicrobial agent; gastrointestinal drug; orphan drug	low
germacrone	germacrane sesquiterpenoid; olefinic compound	androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component	low
piericidin a	aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol	antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor	low
manumycin	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite	low
thermozymocidin	alpha-amino fatty acid; hydroxy monocarboxylic acid; non-proteinogenic alpha-amino acid; sphingoid	antifungal agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor; fungal metabolite; immunosuppressive agent	low
demycarosylturimycin h	aldehyde; disaccharide derivative; ether; macrolide; tertiary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite	low
asukamycin	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite	low
kalimantacin a	alpha,beta-unsaturated monocarboxylic acid; carbamate ester; fatty acid derivative; secondary carboxamide	antibacterial agent; antimicrobial agent; bacterial metabolite	low
cefluprenam	cephalosporin; thiadiazoles	antimicrobial agent	low
platensimycin	aromatic amide; cyclic ether; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor	low
fumagillin	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor	low
gemifloxacin	1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor	low
gemifloxacin mesylate	methanesulfonate salt	antimicrobial agent; topoisomerase IV inhibitor	low
avibactam	azabicycloalkane; hydroxylamine O-sulfonic acid; monocarboxylic acid amide; ureas	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor	low
ppi-0903	1,3-thiazoles; cephalosporin; iminium betaine; organic phosphoramidate; oxime O-ether; thiadiazoles	antibacterial drug; antimicrobial agent; prodrug	low
tmc-95a	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor	low
topopyrone c	naphthochromene; p-quinones; phenols	antimicrobial agent; antineoplastic agent; antiviral agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; Penicillium metabolite	low
monacolin j	2-pyranones; carbobicyclic compound; hexahydronaphthalenes; polyketide; secondary alcohol	antimicrobial agent; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; fungal metabolite	low
nidulalin a	methyl ester; phenols; xanthones	antimicrobial agent; antineoplastic agent; Penicillium metabolite	low
elloramycin	alpha-L-rhamnoside; carboxylic ester; enol ether; enone; methyl ester; monosaccharide derivative; phenols; tertiary alpha-hydroxy ketone; tetracenomycin	antimicrobial agent; bacterial metabolite	low
arisugacin	aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol	antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite	low
lactonamycin	gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative	antibacterial agent; antimicrobial agent; metabolite	low
tmc-95b	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor	low
fr 901464	acetate ester; cyclic hemiketal; monocarboxylic acid amide; pyrans; spiro-epoxide	antimicrobial agent; antineoplastic agent; bacterial metabolite	low
baci-im	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent	low
streptogramin b	cyclodepsipeptide	antibacterial drug; antimicrobial agent; bacterial metabolite	low
tedizolid	carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles	antimicrobial agent; drug metabolite; protein synthesis inhibitor	low
32,33,34,35-bacteriohopanetetrol	hopanoid; tetrol	antimicrobial agent; bacterial metabolite; lipoxygenase inhibitor	low
chir 090	acetylenic compound; benzamides; hydroxamic acid; L-threonine derivative; morpholines	antimicrobial agent; EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor; lipopolysaccharide biosynthesis inhibitor	low
finafloxacin	cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound	antibacterial drug; antimicrobial agent	low
physalin b	enone; lactone; organic heteroheptacyclic compound; physalin	antimalarial; antimicrobial agent; antineoplastic agent	low
anticapsin	alicyclic ketone; epoxide; L-alanine derivative; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; bacterial metabolite; EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor	low
cytotrienin a	cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol	antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite	low
complestatin	cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol	anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite	low
dalbavancin	carbohydrate acid derivative; glycopeptide; monosaccharide derivative; semisynthetic derivative	antibacterial drug; antimicrobial agent	low
oritavancin	disaccharide derivative; glycopeptide; semisynthetic derivative	antibacterial drug; antimicrobial agent	low
thiazomycin	heterodetic cyclic peptide	antibacterial agent; antimicrobial agent; bacterial metabolite	low
ristocetin	glycopeptide; heterodetic cyclic peptide; macrocycle; tetrasaccharide derivative	antibacterial drug; antimicrobial agent; bacterial metabolite; platelet-activating factor receptor agonist	low
platencin	aromatic amide; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor	low
respirantin	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite	low
avilamycin a	benzoate ester; cyclic acetal; dichlorobenzene; oligosaccharide derivative; ortho ester; oxaspiro compound; phenols; tertiary alpha-hydroxy ketone	antimicrobial agent; bacterial metabolite	low
cathestatin b	dicarboxylic acid monoamide; epoxide; monocarboxylic acid; phenols; primary amino compound	antimicrobial agent; cysteine protease inhibitor; Penicillium metabolite	low
tazobactam sodium	organic sodium salt	antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor	low
clavulanate potassium	potassium salt	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor	low
cefmetazole sodium	organic sodium salt	antimicrobial agent	low
borrelidin	aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol	antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite	low
arenaemycin e	alpha,beta-unsaturated monocarboxylic acid; organic heterotricyclic compound; sesquiterpene lactone; spiro-epoxide	antimicrobial agent; bacterial metabolite; EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor	low
marinopyrrole a	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite	low
nxl 104	organic sodium salt	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor	low
bacillaene	enamine; monocarboxylic acid amide; polyene antibiotic; polyketide; secondary alcohol	antibacterial agent; antimicrobial agent; bacterial metabolite	low
brartemicin	benzoate ester; glycosyl glycoside derivative; resorcinols	antimicrobial agent; metabolite	low
muraymycin d2	zwitterion	antimicrobial agent	low
roseoflavin	benzopteridine	antimicrobial agent; bacterial metabolite	low
coumermycin	aromatic amide; coumarins; glycoside; heteroarenecarboxylate ester; pyrroles	antimicrobial agent; antineoplastic agent; bacterial metabolite; DNA synthesis inhibitor; Hsp90 inhibitor; topoisomerase IV inhibitor	low
novobiocin	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent	low
ilicicolin h	aromatic ketone; carbobicyclic compound; ilicicolin; monohydroxypyridine; octahydronaphthalenes; phenols; pyridone	antimicrobial agent; mitochondrial respiratory-chain inhibitor	low
streptolydigin	bridged compound; cyclic ketal; enol; monocarboxylic acid amide; N-glycosyl compound; organic heterobicyclic compound; pyrrolidinone; spiro-epoxide	antimicrobial agent; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor	low
vinylamycin	cyclodepsipeptide; macrocycle; primary alcohol	antibacterial agent; antimicrobial agent; metabolite	low
brasilicardin a	benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols	antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent	low
zorbamycin	glycopeptide	antimicrobial agent; bacterial metabolite	low
phleomycin d1	bi-1,3-thiazole; chelate-forming peptide; disaccharide derivative; glycopeptide; guanidines	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite	low
duramycin	heterodetic cyclic peptide; macrocycle	antimicrobial agent; apoptosis inducer; bacterial metabolite	low
ceftobiprole	cephalosporin; thiadiazoles	antimicrobial agent	low
pyrazofurin	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor	low
indolmycin	1,3-oxazoles; indoles; secondary amino compound	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor	low
streptothricin f	guanidinium ion; primary aliphatic ammonium ion	antimicrobial agent	low
cycloheximide	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor	low
acetopyrrothine	acetamides; dithiolopyrrolone antibiotic	angiogenesis inhibitor; antibacterial agent; antifungal agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite; protein synthesis inhibitor; toxin	low
emetine	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	low
nucleocidin	6-aminopurines; adenosines; diol; organofluorine compound; sulfamate ester	antibacterial agent; bacterial metabolite; nucleoside antibiotic; protein synthesis inhibitor; trypanocidal drug	low
lycorine	indolizidine alkaloid	anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor	low
clarithromycin	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic	low
cryptopleurine	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	antineoplastic agent; antiviral agent; protein synthesis inhibitor	low
s-2-aminoethyl cysteine	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor; metabolite; protein synthesis inhibitor	low
a 195773	macrolide antibiotic; monosaccharide derivative; quinolines	antibacterial drug; protein synthesis inhibitor	low
homoharringtonine	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor	low
linezolid	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor	low
mupirocin	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor	low
dibekacin	kanamycins	antibacterial agent; protein synthesis inhibitor	low
fusidic acid	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	low
emetine dihydrochloride	hydrochloride	anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor	low
tavaborole	benzoxaborole; organofluorine compound	antifungal agent; EC 6.1.1.4 (leucine--tRNA ligase) inhibitor; protein synthesis inhibitor	low
gamithromycin	macrolide antibiotic; monosaccharide derivative	antibacterial drug; protein synthesis inhibitor	low
rifampin	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor	low
althiomycin	1,3-thiazoles; aldoxime; ether; gamma-lactam; pentapeptide; peptide antibiotic; primary alcohol; pyrroline; secondary carboxamide; tertiary carboxamide	antibacterial agent; bacterial metabolite; protein synthesis inhibitor	low
aminolevulinic acid	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite	low
pyrazinamide	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug	low
uracil	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite	low
acemetacin	carboxylic ester; indol-3-yl carboxylic acid; monocarboxylic acid; monochlorobenzenes; N-acylindole	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
amifostine anhydrous	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent	low
amodiaquine	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	low
ampiroxicam	acetal; aminopyridine; benzothiazine; etabonate ester; monocarboxylic acid amide; sulfonamide	analgesic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; prodrug	low
azathioprine	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug	low
chlorazepate	1,4-benzodiazepinone	anticonvulsant; anxiolytic drug; GABA modulator; prodrug	low
dacarbazine	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; carcinogenic agent; prodrug	low
dipivefrin	ethanolamines; pivalate ester	adrenergic agonist; antiglaucoma drug; ophthalmology drug; prodrug; sympathomimetic agent	low
dipyrone	amino sulfonic acid; pyrazoles	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug	low
etanidazole	C-nitro compound; imidazoles; monocarboxylic acid amide	alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent	low
brl 42810	2-aminopurines; acetate ester	antiviral drug; prodrug	low
flucytosine	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug	low
fluphenazine depot	decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug	low
leflunomide	(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	low
loxoprofen	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
midodrine	amino acid amide; aromatic ether; secondary alcohol	alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent	low
nabumetone	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
nitroglycerin	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic	low
4-phenylbutyric acid	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug	low
proglumetacin	aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
salicylsalicylic acid	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
4-phenylbutyric acid, sodium salt	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug	low
suxibuzone	hemisuccinate; monocarboxylic acid; pyrazolidines	antirheumatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; prodrug	low
tazarotene	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent	low
temozolomide	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug	low
prednisone	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug	low
levodopa	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	low
tributyrin	butyrate ester; triglyceride	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug; protective agent	low
mestranol	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen	low
1,4-butanediol	butanediol; glycol	neurotoxin; prodrug; protic solvent	low
lucanthone	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug	low
psilocybin	organic phosphate; tertiary amino compound; tryptamine alkaloid	fungal metabolite; hallucinogen; prodrug; serotonergic agonist	low
azaribine	acetate ester; N-glycosyl-1,2,4-triazine	antipsoriatic; prodrug	low
doxifluridine	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug	low
diloxanide furoate	carboxylic ester; furans; organochlorine compound; tertiary carboxamide	antiamoebic agent; prodrug	low
pn 401	acetate ester; uridines	neuroprotective agent; orphan drug; prodrug	low
beclomethasone dipropionate	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester	anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug	low
olsalazine	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug	low
ancitabine	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug	low
fludarabine phosphate	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug	low
carbimazole	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug	low
pivampicillin	penicillanic acid ester; pivaloyloxymethyl ester	prodrug	low
bitolterol	carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug	low
lovastatin	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug	low
simvastatin	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug	low
bambuterol hydrochloride	carbamate ester; hydrochloride; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent	low
bambuterol	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent	low
quinapril	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug	low
cilazapril, anhydrous	dicarboxylic acid monoester; ethyl ester; pyridazinodiazepine	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug	low
gemcitabine	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic	low
lamivudine	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug	low
irinotecan	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	low
adefovir dipivoxil	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug	low
capecitabine	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug	low
baicalin	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug	low
oseltamivir	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic	low
lenampicillin	ketene acetal; penicillanic acid ester	prodrug	low
droxicam	organic heterotricyclic compound; pyridines	cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug	low
talampicillin	penicillanic acid ester	prodrug	low
prednisolone phosphate	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone	anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug	low
irinotecan hydrochloride	hydrochloride	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	low
zofenopril	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thioester	anticonvulsant; apoptosis inhibitor; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug; vasodilator agent	low
droxidopa	catechols; L-tyrosine derivative	antihypertensive agent; prodrug; vasoconstrictor agent	low
fingolimod hydrochloride	hydrochloride	immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist	low
fingolimod	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist	low
amdinocillin pivoxil	penicillanic acid ester; penicillin; pivaloyloxymethyl ester	antibacterial drug; antiinfective agent; prodrug	low
parecoxib	isoxazoles; N-sulfonylcarboxamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
aminolevulinic acid hydrochloride	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug	low
cefotiam hexetil	carboxylic ester	prodrug	low
fosamprenavir	sulfonamide	prodrug	low
nepafenac	monocarboxylic acid amide	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
cyc 682	nitrile; nucleoside analogue; secondary carboxamide	antimetabolite; antineoplastic agent; DNA synthesis inhibitor; prodrug	low
methyl 5-aminolevulinate hydrochloride	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug	low
methyl 5-aminolevulinate	delta-amino acid ester	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug	low
clorazepate dipotassium	potassium salt	anticonvulsant; anxiolytic drug; GABA modulator; prodrug	low
dabigatran etexilate	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; carboxylic ester; pyridines	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug	low
fosfluconazole	conazole antifungal drug; triazole antifungal drug; triazoles	prodrug	low
2-hydroxyestradiol	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug	low
salicin	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
bacampicillin	penicillanic acid ester	prodrug	low
tiazofurin	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug	low
rubitecan	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	low
dipyrone	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug	low
sulindac	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	low
ethionamide	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug	low
nelarabine	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug	low
amrubicin	anthracycline antibiotic; methyl ketone; primary amino compound; quinone; tetracenes	antineoplastic agent; prodrug; topoisomerase II inhibitor	low
mycophenolate mofetil	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug	low
uf 021	isopropyl ester; ketone; prostaglandins Falpha	antiglaucoma drug; antihypertensive agent; prodrug	low
travoprost	(trifluoromethyl)benzenes; isopropyl ester; prostaglandins Falpha	antiglaucoma drug; antihypertensive agent; ophthalmology drug; prodrug; prostaglandin receptor agonist	low
codeine	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic	low
latanoprost	isopropyl ester; prostaglandins Falpha; triol	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug	low
spirapril	azaspiro compound; dicarboxylic acid monoester; dipeptide; dithioketal; ethyl ester; pyrrolidinecarboxylic acid; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug	low
dextromethorphan	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic	low
benazepril	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug	low
ramipril	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester	bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug	low
enalapril maleate	maleate salt	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug	low
enalapril	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug	low
heroin	morphinane alkaloid	mu-opioid receptor agonist; opioid analgesic; prodrug	low
imidapril	dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug	low
ximelagatran	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor	low
trandolapril	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug	low
tenofovir disoproxil fumarate	fumarate salt	antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug	low
cefditoren pivoxil	1,3-thiazoles; cephams; oxime O-ether; pivaloyloxymethyl ester	antibacterial drug; prodrug	low
dirithromycin	macrolide antibiotic	prodrug	low
cefpodoxime proxetil	carboxylic acid; carboxylic ester; cephalosporin	antibacterial drug; prodrug	low
gs-7340	6-aminopurines; ether; isopropyl ester; L-alanine derivative; phosphoramidate ester	antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug	low
abiraterone acetate	pyridines; sterol ester	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor; prodrug	low
fluticasone furoate	11beta-hydroxy steroid; 2-furoate ester; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; steroid ester; thioester	anti-allergic agent; anti-asthmatic drug; prodrug	low
naproxen-n-butyl nitrate	carboxylic ester; methoxynaphthalene; nitrate ester	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; nitric oxide donor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
varespladib methyl	aromatic ether; benzenes; indoles; methyl ester; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor; prodrug	low
selexipag	aromatic amine; ether; monocarboxylic acid amide; N-sulfonylcarboxamide; pyrazines; tertiary amino compound	orphan drug; platelet aggregation inhibitor; prodrug; prostacyclin receptor agonist; vasodilator agent	low
jte 607	hydrochloride	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; CPSF3 inhibitor; prodrug	low
penamecillin	penicillanic acid ester; semisynthetic derivative	antibacterial drug; prodrug	low
etc-1002	alpha,omega-dicarboxylic acid	antilipemic drug; EC 2.3.3.8 (ATP citrate synthase) inhibitor; prodrug	low
rx-3117	organofluorine compound; primary allylic alcohol; triol	antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug	low
azd 1152	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug	low
brl 15572	hydrochloride	prodrug; serotonergic antagonist	low
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide	hydrobromide	dopamine agonist; prodrug	low
sk&f 77434	hydrobromide	dopamine agonist; prodrug	low
methylprednisolone suleptanate	organic sodium salt	anti-asthmatic drug; anti-inflammatory agent; glucocorticoid receptor agonist; prodrug	low
cefamandole nafate	organic sodium salt	antibacterial drug; prodrug	low
sofosbuvir	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug	low
ML-210	C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide	antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug	low
aripiprazole lauroxil	aromatic ether; delta-lactam; dichlorobenzene; dodecanoate ester; N-alkylpiperazine; N-arylpiperazine; quinolone	H1-receptor antagonist; prodrug; second generation antipsychotic; serotonergic agonist	low
cgs 12066b	maleate salt	prodrug; serotonergic agonist	low
s 8932	aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine	anticoronaviral agent; antiviral drug; prodrug	low
tak 491	1,2,4-oxadiazole; aromatic ether; benzimidazoles; carboxylic ester; cyclic carbonate ester; dioxolane	angiotensin receptor antagonist; antihypertensive agent; prodrug	low
valganciclovir	L-valyl ester; purines	antiviral drug; prodrug	low
fosaprepitant	(trifluoromethyl)benzenes; cyclic acetal; morpholines; phosphoramide; triazoles	antiemetic; neurokinin-1 receptor antagonist; prodrug	low
dabigatran etexilate	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; carboxylic ester; pyridines	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug	low
molnupiravir	isopropyl ester; ketoxime; nucleoside analogue	anticoronaviral agent; antiviral drug; prodrug	low
PF-07304814	aromatic ether; indolecarboxamide; L-leucine derivative; phosphate monoester; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; prodrug	low

Substance	Classes	Roles	Relationship Strength
streptonigrin	pyridines; quinolone	antimicrobial agent; antineoplastic agent	low
gatifloxacin	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
enrofloxacin	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent	low
florfenicol	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent	low
maytansine	alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound	antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator	low
geldanamycin	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor	low
kalimantacin a	alpha,beta-unsaturated monocarboxylic acid; carbamate ester; fatty acid derivative; secondary carboxamide	antibacterial agent; antimicrobial agent; bacterial metabolite	low
tedizolid	carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles	antimicrobial agent; drug metabolite; protein synthesis inhibitor	low
finafloxacin	cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound	antibacterial drug; antimicrobial agent	low
novobiocin	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent	low
nucleocidin	6-aminopurines; adenosines; diol; organofluorine compound; sulfamate ester	antibacterial agent; bacterial metabolite; nucleoside antibiotic; protein synthesis inhibitor; trypanocidal drug	low
linezolid	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor	low
tavaborole	benzoxaborole; organofluorine compound	antifungal agent; EC 6.1.1.4 (leucine--tRNA ligase) inhibitor; protein synthesis inhibitor	low
flucytosine	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug	low
fluphenazine depot	decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug	low
tazarotene	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent	low
doxifluridine	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug	low
fludarabine phosphate	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug	low
carbimazole	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug	low
bambuterol hydrochloride	carbamate ester; hydrochloride; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent	low
bambuterol	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent	low
gemcitabine	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic	low
irinotecan	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	low
capecitabine	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug	low
droxicam	organic heterotricyclic compound; pyridines	cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug	low
dabigatran etexilate	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; carboxylic ester; pyridines	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug	low
sulindac	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	low
ethionamide	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug	low
abiraterone acetate	pyridines; sterol ester	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor; prodrug	low
rx-3117	organofluorine compound; primary allylic alcohol; triol	antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug	low
sofosbuvir	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug	low
dabigatran etexilate	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; carboxylic ester; pyridines	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug	low
PF-07304814	aromatic ether; indolecarboxamide; L-leucine derivative; phosphate monoester; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; prodrug	low

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	2010's	post-2020
phenytoin	1	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent	2022	2022	2.0	low	0	1
beta-naphthoflavone	1	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist	2022	2022	2.0	low	0	1
beta-lapachone	1	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite	2022	2022	2.0	low	0	1
mebendazole	1	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator	2022	2022	2.0	low	0	1
thalidomide	1	phthalimides; piperidones		2022	2022	2.0	low	0	1
vancomycin	1	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite	2014	2014	10.0	low	1	0
3-heptyl-4-hydroxy-7-methoxy-2-methylquinoline	1			2022	2022	2.0	medium	0	1
etravirine	1	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor	2022	2022	2.0	low	0	1
linezolid	2	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor	2014	2022	6.0	low	1	1
antofine	1	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite	2022	2022	2.0	low	0	1
ac 55649	1	biphenyls; carboxybiphenyl		2022	2022	2.0	low	0	1
diosmin	1	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant	2022	2022	2.0	low	0	1
oridonin	1	cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol	angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite	2022	2022	2.0	low	0	1
rilpivirine	1	aminopyrimidine; nitrile	EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor	2022	2022	2.0	low	0	1
a 286982	1			2022	2022	2.0	medium	0	1
dup 721	1			2014	2014	10.0	medium	1	0
SIS3 free base	1	aromatic ether; enamide; isoquinolines; monocarboxylic acid amide; pyrrolopyridine; tertiary carboxamide	Smad3 inhibitor	2022	2022	2.0	high	0	1
bms-585248	1			2022	2022	2.0	medium	0	1
tedizolid	2	carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles	antimicrobial agent; drug metabolite; protein synthesis inhibitor	2014	2022	6.0	low	1	1
bms-626529	1			2022	2022	2.0	low	0	1
bms-663068	1			2022	2022	2.0	low	0	1
psi 697	1			2022	2022	2.0	medium	0	1
amg 517	1			2022	2022	2.0	low	0	1
azd1283	1			2022	2022	2.0	medium	0	1
apatinib	1			2016	2016	8.0	low	1	0
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine	1	indoles		2022	2022	2.0	medium	0	1
7-chloro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1h)-one	1			2022	2022	2.0	medium	0	1
gs-9973	1			2022	2022	2.0	low	0	1
ddd107498	1			2022	2022	2.0	medium	0	1

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	Trials	2000's	2010's	post-2020
pyrazinamide	1	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug	2016	2016	8.0	low	0	0	1	0
theophylline	1	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	2017	2017	7.0	low	0	0	1	0
clofazimine	1	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug	2017	2017	7.0	low	0	0	1	0
gentamicin	1			2018	2018	6.0	low	0	0	1	0
phenobarbital	1	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative	2017	2017	7.0	low	0	0	1	0
tyramine	1	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter	2013	2013	11.0	low	1	0	1	0
carbostyril	1	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite	2014	2014	10.0	low	0	0	1	0
methicillin	2	penicillin allergen; penicillin	antibacterial drug	2011	2016	10.5	low	0	0	2	0
penicillanic acid	1	penicillanic acids		2017	2017	7.0	low	0	0	1	0
pseudoephedrine	1	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic	2013	2013	11.0	low	1	0	1	0
oxazoles	106	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene		2006	2022	8.7	high	22	6	95	5
thiazoles	1	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene		2014	2014	10.0	low	0	0	1	0
ephedrine	1	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic	2017	2017	7.0	low	0	0	1	0
azomycin	1	C-nitro compound; imidazoles	antitubercular agent	2016	2016	8.0	low	0	0	1	0
vancomycin	5	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite	2015	2017	8.0	low	0	0	5	0
technetium	1	manganese group element atom		2021	2021	3.0	low	0	0	0	1
thiamphenicol	1	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent	2014	2014	10.0	low	0	0	1	0
glucose, (beta-d)-isomer	1	D-glucopyranose	epitope; mouse metabolite	2015	2015	9.0	low	0	0	1	0
cephalosporin c	4	cephalosporin	fungal metabolite	2016	2018	7.0	low	0	0	4	0
triazoles	1	1,2,3-triazole		2017	2017	7.0	low	0	0	1	0
oxazolidin-2-one	28	carbamate ester; oxazolidinone	metabolite	2006	2020	10.9	medium	6	4	24	0
imipenem, anhydrous	1	beta-lactam antibiotic allergen; carbapenems; zwitterion	antibacterial drug	2018	2018	6.0	low	0	0	1	0
florfenicol	1	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent	2014	2014	10.0	low	0	0	1	0
tazobactam	1	penicillanic acids; triazoles	antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor	2017	2017	7.0	low	0	0	1	0
moxifloxacin	2	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug	2016	2017	7.5	low	1	0	2	0
azd2563	1			2016	2016	8.0	low	0	0	1	0
benzofurans	1			2015	2015	9.0	low	0	0	1	0
trimethoprim, sulfamethoxazole drug combination	2			2010	2018	10.0	low	0	1	1	0
meropenem	1	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen	2020	2020	4.0	low	0	0	1	0
linezolid	36	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor	2008	2021	8.8	medium	9	1	34	1
clindamycin	1			2014	2014	10.0	low	0	0	1	0
pa 824	1			2016	2016	8.0	low	0	0	1	0
u 100480	1			2016	2016	8.0	low	0	0	1	0
pyrophosphate	1	diphosphate ion		2015	2015	9.0	low	0	0	1	0
tiamulin	1	carbotricyclic compound; carboxylic ester; cyclic ketone; organic sulfide; secondary alcohol; semisynthetic derivative; tertiary amino compound; tetracyclic diterpenoid	antibacterial drug	2014	2014	10.0	low	0	0	1	0
ephedrine, phenobarbital, theophylline drug combination	1			2017	2017	7.0	high	0	0	1	0
bedaquiline	1	aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound	antitubercular agent; ATP synthase inhibitor	2016	2016	8.0	low	0	0	1	0
vorapaxar	2	carbamate ester; lactone; naphthofuran; organofluorine compound; pyridines	cardiovascular drug; platelet aggregation inhibitor; protease-activated receptor-1 antagonist	2015	2017	8.0	low	0	0	2	0
tasimelteon	1	1-benzofurans; cyclopropanes; monocarboxylic acid amide	melatonin receptor agonist	2015	2015	9.0	low	0	0	1	0
tedizolid	12	carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles	antimicrobial agent; drug metabolite; protein synthesis inhibitor	2006	2017	13.0	medium	3	5	7	0
empagliflozin	1	aromatic ether; C-glycosyl compound; monochlorobenzenes; tetrahydrofuryl ether	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor	2015	2015	9.0	low	0	0	1	0
rwj-416457	1			2016	2016	8.0	medium	0	0	1	0
ach 702	1			2014	2014	10.0	medium	0	0	1	0
glucagon-like peptide 1	1			2015	2015	9.0	low	0	0	1	0
oritavancin	6	disaccharide derivative; glycopeptide; semisynthetic derivative	antibacterial drug; antimicrobial agent	2014	2017	8.3	low	0	0	6	0
chitosan	1			2022	2022	2.0	low	0	0	0	1
cem 101	1			2017	2017	7.0	low	0	0	1	0
minocycline	1			2013	2013	11.0	low	0	0	1	0
tigecycline	1			2013	2013	11.0	low	0	0	1	0
daptomycin	5			2013	2018	8.2	low	0	0	5	0
rifampin	3	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor	2016	2020	6.0	low	0	0	3	0
ceftobiprole	1	cephalosporin; thiadiazoles	antimicrobial agent	2017	2017	7.0	low	0	0	1	0

Condition	Indicated	Studies	First Year	Last Year	Average Age	Relationship Strength	Trials	2000's	2010's	post-2020
Ache	0	1	2016	2016	8.0	low	1	0	1	0
Actinomyces Infections	0	1	2008	2008	16.0	low	0	1	0	0
Actinomycetoma	0	2	2006	2008	17.0	low	0	2	0	0
Acute Disease	0	7	2013	2018	9.0	low	1	0	7	0
Adverse Drug Event	0	2	2014	2016	9.0	low	1	0	2	0
Arthritides, Bacterial	0	1	2016	2016	8.0	low	0	0	1	0
Arthropathies	0	1	2017	2017	7.0	low	0	0	1	0
Atypical Mycobacterial Infection, Disseminated	0	1	2017	2017	7.0	low	0	0	1	0
Bacteremia	0	1	2018	2018	6.0	low	1	0	1	0
Bacterial Disease	0	4	2014	2017	8.0	low	2	0	4	0
Bacterial Infections	1	4	2014	2017	8.0	low	2	0	4	0
Bacterial Infections, Gram-Positive	0	20	2011	2021	8.5	low	2	0	19	1
Bacterial Pneumonia	0	3	2015	2021	6.7	low	1	0	2	1
Bacterial Skin Diseases	0	29	2011	2021	8.2	medium	10	0	27	2
Blood Poisoning	0	2	2014	2016	9.0	low	0	0	2	0
Catheter-Associated Infections	0	1	2016	2016	8.0	low	0	0	1	0
Central Nervous System Infection	0	1	2017	2017	7.0	low	0	0	1	0
Cerebral Nocardiosis	0	3	2008	2017	12.3	low	0	2	1	0
Chronic Kidney Failure	0	1	2014	2014	10.0	low	1	0	1	0
Congenital Zika Syndrome	0	1	2020	2020	4.0	low	0	0	1	0
Cross Infection	0	1	2016	2016	8.0	low	0	0	1	0
Cystic Fibrosis	0	1	2018	2018	6.0	low	0	0	1	0
Cystic Fibrosis of Pancreas	0	1	2018	2018	6.0	low	0	0	1	0
Dermatoses	0	1	2015	2015	9.0	low	0	0	1	0
Disease Models, Animal	0	11	2008	2020	9.3	low	0	2	9	0
Disease, Pulmonary	0	2	2017	2017	7.0	low	0	0	2	0
Drug-Related Side Effects and Adverse Reactions	0	2	2014	2016	9.0	low	1	0	2	0
Encephalopathy, Toxic	0	1	2015	2015	9.0	low	0	0	1	0
Endocarditis	0	1	2015	2015	9.0	low	0	0	1	0
Erythema	0	1	2014	2014	10.0	low	1	0	1	0
Experimental Lung Inflammation	0	2	2015	2017	8.0	low	0	0	2	0
Foreign Bodies	0	1	2016	2016	8.0	low	0	0	1	0
Gram-Positive Bacterial Infections	1	20	2011	2021	8.5	low	2	0	19	1
Group A Strep Infection	0	4	2014	2017	8.5	low	1	0	4	0
Health Care Associated Infection	0	1	2016	2016	8.0	low	0	0	1	0
Infection, Mycobacterium avium-intracellulare	0	2	2017	2017	7.0	low	0	0	2	0
Infections, Prosthesis-Related	0	1	2016	2016	8.0	low	0	0	1	0
Infections, Soft Tissue	0	6	2011	2018	9.0	low	2	0	6	0
Infections, Staphylococcal	0	14	2011	2017	9.5	low	0	0	14	0
Infections, Staphylococcal Skin	0	10	2011	2019	9.3	low	3	0	10	0
Infective Endocarditis	0	1	2015	2015	9.0	low	0	0	1	0
Injuries	0	1	2016	2016	8.0	low	1	0	1	0
Joint Diseases	0	1	2017	2017	7.0	low	0	0	1	0
Kahler Disease	0	1	2017	2017	7.0	low	0	0	1	0
Kidney Failure, Chronic	0	1	2014	2014	10.0	low	1	0	1	0
Liver Diseases	1	1	2014	2014	10.0	low	1	0	1	0
Liver Dysfunction	0	1	2014	2014	10.0	low	1	0	1	0
Lung Diseases	0	2	2017	2017	7.0	low	0	0	2	0
Multiple Myeloma	0	1	2017	2017	7.0	low	0	0	1	0
Mycetoma	0	2	2006	2008	17.0	low	0	2	0	0
Mycobacterium avium-intracellulare Infection	0	2	2017	2017	7.0	low	0	0	2	0
Neutropenia	0	2	2012	2019	8.5	low	0	0	2	0
Osteomyelitis	0	2	2016	2017	7.5	low	0	0	2	0
Pain	0	1	2016	2016	8.0	low	1	0	1	0
Pneumonia	1	2	2015	2017	8.0	low	0	0	2	0
Pneumonia, Bacterial	0	3	2015	2021	6.7	low	1	0	2	1
Pneumonia, Pneumococcal	0	2	2012	2016	10.0	low	0	0	2	0
Pneumonia, Staphylococcal	0	3	2012	2016	10.0	low	0	0	3	0
Pulmonary Consumption	0	1	2016	2016	8.0	low	0	0	1	0
Sensitivity and Specificity	0	1	2017	2017	7.0	low	0	0	1	0
Sepsis	0	2	2014	2016	9.0	low	0	0	2	0
Skin Diseases	1	1	2015	2015	9.0	low	0	0	1	0
Skin Diseases, Bacterial	0	29	2011	2021	8.2	medium	10	0	27	2
Soft Tissue Infections	0	6	2011	2018	9.0	low	2	0	6	0
Staphylococcal Infections	0	14	2011	2017	9.5	low	0	0	14	0
Staphylococcal Pneumonia	0	3	2012	2016	10.0	low	0	0	3	0
Staphylococcal Skin Infections	0	10	2011	2019	9.3	low	3	0	10	0
Streptococcal Infections	0	4	2014	2017	8.5	low	1	0	4	0
Tuberculosis, Pulmonary	0	1	2016	2016	8.0	low	0	0	1	0
Wounds and Injuries	0	1	2016	2016	8.0	low	1	0	1	0
Zika Virus Infection	0	1	2020	2020	4.0	low	0	0	1	0

Safety/Toxicity (12)

Article	Year
Pharmacokinetics and Safety of Single-dose Tedizolid Phosphate in Children 2 to <12 Years of Age. The Pediatric infectious disease journal, , 04-01, Volume: 40, Issue:4	2021
Efficacy and Safety of Tedizolid Phosphate versus Linezolid in a Randomized Phase 3 Trial in Patients with Acute Bacterial Skin and Skin Structure Infection. Antimicrobial agents and chemotherapy, , Volume: 63, Issue:7	2019
Efficacy, safety and pharmacokinetics of tedizolid versus linezolid in patients with skin and soft tissue infections in Japan - Results of a randomised, multicentre phase 3 study. Journal of infection and chemotherapy : official journal of the Japan Society of Chemotherapy, , Volume: 24, Issue:6	2018
Clinical safety and tolerability of tedizolid phosphate in the treatment of acute bacterial skin and skin structure infections. Expert opinion on drug safety, , Volume: 17, Issue:4	2018
Characterization of Neurologic and Ophthalmologic Safety of Oral Administration of Tedizolid for Up to 21 Days in Healthy Volunteers. American journal of therapeutics, , Volume: 24, Issue:2
Pharmacokinetics and Safety of Tedizolid after Single and Multiple Intravenous/Oral Sequential Administrations in Healthy Chinese Subjects. Clinical therapeutics, , Volume: 38, Issue:8	2016
Pharmacokinetics, Safety and Tolerability of Single Oral or Intravenous Administration of 200 mg Tedizolid Phosphate in Adolescents. The Pediatric infectious disease journal, , Volume: 35, Issue:6	2016
Efficacy, safety, tolerability and population pharmacokinetics of tedizolid, a novel antibiotic, in Latino patients with acute bacterial skin and skin structure infections. The Brazilian journal of infectious diseases : an official publication of the Brazilian Society of Infectious Diseases, , Volume: 20, Issue:2
Drug-drug interactions and safety of linezolid, tedizolid, and other oxazolidinones. Expert opinion on drug metabolism & toxicology, , Volume: 11, Issue:12	2015
New potent antibacterial oxazolidinone (MRX-I) with an improved class safety profile. Journal of medicinal chemistry, , Jun-12, Volume: 57, Issue:11	2014
Tedizolid phosphate for the management of acute bacterial skin and skin structure infections: safety summary. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America, , Volume: 58 Suppl 1	2014
Phase 2, randomized, double-blind, dose-ranging study evaluating the safety, tolerability, population pharmacokinetics, and efficacy of oral torezolid phosphate in patients with complicated skin and skin structure infections. Antimicrobial agents and chemotherapy, , Volume: 55, Issue:2	2011

Pharmacokinetics (16)

Article	Year
Pharmacokinetics and Safety of Single-dose Tedizolid Phosphate in Children 2 to <12 Years of Age. The Pediatric infectious disease journal, , 04-01, Volume: 40, Issue:4	2021
Pharmacokinetics, Safety, and Tolerability of Tedizolid Phosphate in Elderly Subjects. Clinical pharmacology in drug development, , Volume: 7, Issue:7	2018
Pharmacokinetic drug evaluation of tedizolid for the treatment of skin infections. Expert opinion on drug metabolism & toxicology, , Volume: 13, Issue:3	2017
Pharmacokinetics and Safety of Tedizolid after Single and Multiple Intravenous/Oral Sequential Administrations in Healthy Chinese Subjects. Clinical therapeutics, , Volume: 38, Issue:8	2016
Pharmacokinetics, Safety and Tolerability of Single Oral or Intravenous Administration of 200 mg Tedizolid Phosphate in Adolescents. The Pediatric infectious disease journal, , Volume: 35, Issue:6	2016
Efficacy, safety, tolerability and population pharmacokinetics of tedizolid, a novel antibiotic, in Latino patients with acute bacterial skin and skin structure infections. The Brazilian journal of infectious diseases : an official publication of the Brazilian Society of Infectious Diseases, , Volume: 20, Issue:2
Early experience with tedizolid: clinical efficacy, pharmacodynamics, and resistance. Pharmacotherapy, , Volume: 34, Issue:11	2014
Tedizolid population pharmacokinetics, exposure response, and target attainment. Antimicrobial agents and chemotherapy, , Volume: 58, Issue:11	2014
Pharmacokinetics of tedizolid in subjects with renal or hepatic impairment. Antimicrobial agents and chemotherapy, , Volume: 58, Issue:11	2014
Single- and multiple-dose pharmacokinetics and absolute bioavailability of tedizolid. Pharmacotherapy, , Volume: 34, Issue:9	2014
Use of pharmacokinetic/pharmacodynamic systems analyses to inform dose selection of tedizolid phosphate. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America, , Volume: 58 Suppl 1	2014
Pharmacokinetics of tedizolid following oral administration: single and multiple dose, effect of food, and comparison of two solid forms of the prodrug. Pharmacotherapy, , Volume: 34, Issue:3	2014
Comparative pharmacodynamics of the new oxazolidinone tedizolid phosphate and linezolid in a neutropenic murine Staphylococcus aureus pneumonia model. Antimicrobial agents and chemotherapy, , Volume: 56, Issue:11	2012
In vivo pharmacodynamics of torezolid phosphate (TR-701), a new oxazolidinone antibiotic, against methicillin-susceptible and methicillin-resistant Staphylococcus aureus strains in a mouse thigh infection model. Antimicrobial agents and chemotherapy, , Volume: 55, Issue:7	2011
Phase 2, randomized, double-blind, dose-ranging study evaluating the safety, tolerability, population pharmacokinetics, and efficacy of oral torezolid phosphate in patients with complicated skin and skin structure infections. Antimicrobial agents and chemotherapy, , Volume: 55, Issue:2	2011
Pharmacokinetics of DA-7218, a new oxazolidinone, and its active metabolite, DA-7157, after intravenous and oral administration of DA-7218 and DA-7157 to rats. The Journal of pharmacy and pharmacology, , Volume: 59, Issue:7	2007

Bioavailability (13)

Article	Year
Structural modification aimed for improving solubility of lead compounds in early phase drug discovery. Bioorganic & medicinal chemistry, , 02-15, Volume: 56	2022
Pharmacokinetics and Safety of Single-dose Tedizolid Phosphate in Children 2 to <12 Years of Age. The Pediatric infectious disease journal, , 04-01, Volume: 40, Issue:4	2021
Radiolabeled Tedizolid Phosphate Liposomes for Topical Application: Design, Characterization, and Evaluation of Cellular Binding Capacity. AAPS PharmSciTech, , Feb-02, Volume: 22, Issue:2	2021
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, , Volume: 96, Issue:5	2019
Pharmacokinetic drug evaluation of tedizolid for the treatment of skin infections. Expert opinion on drug metabolism & toxicology, , Volume: 13, Issue:3	2017
Pharmacokinetics and Safety of Tedizolid after Single and Multiple Intravenous/Oral Sequential Administrations in Healthy Chinese Subjects. Clinical therapeutics, , Volume: 38, Issue:8	2016
Pharmacokinetics, Safety and Tolerability of Single Oral or Intravenous Administration of 200 mg Tedizolid Phosphate in Adolescents. The Pediatric infectious disease journal, , Volume: 35, Issue:6	2016
Tedizolid for treatment of acute bacterial skin and skin structure infections. Expert review of anti-infective therapy, , Volume: 13, Issue:9	2015
Tedizolid: a novel oxazolidinone with potent activity against multidrug-resistant gram-positive pathogens. Drugs, , Volume: 75, Issue:3	2015
Tedizolid population pharmacokinetics, exposure response, and target attainment. Antimicrobial agents and chemotherapy, , Volume: 58, Issue:11	2014
Single- and multiple-dose pharmacokinetics and absolute bioavailability of tedizolid. Pharmacotherapy, , Volume: 34, Issue:9	2014
Pharmacokinetics of tedizolid following oral administration: single and multiple dose, effect of food, and comparison of two solid forms of the prodrug. Pharmacotherapy, , Volume: 34, Issue:3	2014
Potential role of tedizolid phosphate in the treatment of acute bacterial skin infections. Drug design, development and therapy, , Volume: 7	2013

Dosage (18)

Article	Year
Pharmacokinetics and Safety of Single-dose Tedizolid Phosphate in Children 2 to <12 Years of Age. The Pediatric infectious disease journal, , 04-01, Volume: 40, Issue:4	2021
Pharmacokinetics, Safety, and Tolerability of Tedizolid Phosphate in Elderly Subjects. Clinical pharmacology in drug development, , Volume: 7, Issue:7	2018
Pharmacokinetic drug evaluation of tedizolid for the treatment of skin infections. Expert opinion on drug metabolism & toxicology, , Volume: 13, Issue:3	2017
Pharmacokinetics and Safety of Tedizolid after Single and Multiple Intravenous/Oral Sequential Administrations in Healthy Chinese Subjects. Clinical therapeutics, , Volume: 38, Issue:8	2016
Current and future trends in antibiotic therapy of acute bacterial skin and skin-structure infections. Clinical microbiology and infection : the official publication of the European Society of Clinical Microbiology and Infectious Diseases, , Volume: 22 Suppl 2	2016
Tedizolid for treatment of acute bacterial skin and skin structure infections. Expert review of anti-infective therapy, , Volume: 13, Issue:9	2015
Tedizolid: A New Oxazolidinone Antibiotic for Skin and Soft Tissue Infections. The Consultant pharmacist : the journal of the American Society of Consultant Pharmacists, , Volume: 30, Issue:7	2015
Tedizolid: The First Once-Daily Oxazolidinone Class Antibiotic. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America, , Oct-15, Volume: 61, Issue:8	2015
Tedizolid: a novel oxazolidinone with potent activity against multidrug-resistant gram-positive pathogens. Drugs, , Volume: 75, Issue:3	2015
Tedizolid phosphate for the treatment of acute bacterial skin and skin structure infections. Drugs of today (Barcelona, Spain : 1998), , Volume: 50, Issue:11	2014
Single- and multiple-dose pharmacokinetics and absolute bioavailability of tedizolid. Pharmacotherapy, , Volume: 34, Issue:9	2014
Absorption, distribution, metabolism, and excretion of the novel antibacterial prodrug tedizolid phosphate. Drug metabolism and disposition: the biological fate of chemicals, , Volume: 42, Issue:8	2014
Tedizolid phosphate for the management of acute bacterial skin and skin structure infections: efficacy summary. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America, , Volume: 58 Suppl 1	2014
Use of pharmacokinetic/pharmacodynamic systems analyses to inform dose selection of tedizolid phosphate. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America, , Volume: 58 Suppl 1	2014
Potential role of tedizolid phosphate in the treatment of acute bacterial skin infections. Drug design, development and therapy, , Volume: 7	2013
Comparative pharmacodynamics of the new oxazolidinone tedizolid phosphate and linezolid in a neutropenic murine Staphylococcus aureus pneumonia model. Antimicrobial agents and chemotherapy, , Volume: 56, Issue:11	2012
In vitro activity and microbiological efficacy of tedizolid (TR-700) against Gram-positive clinical isolates from a phase 2 study of oral tedizolid phosphate (TR-701) in patients with complicated skin and skin structure infections. Antimicrobial agents and chemotherapy, , Volume: 56, Issue:9	2012
In vivo pharmacodynamics of torezolid phosphate (TR-701), a new oxazolidinone antibiotic, against methicillin-susceptible and methicillin-resistant Staphylococcus aureus strains in a mouse thigh infection model. Antimicrobial agents and chemotherapy, , Volume: 55, Issue:7	2011

Interactions (1)

Article	Year
Drug-drug interactions and safety of linezolid, tedizolid, and other oxazolidinones. Expert opinion on drug metabolism & toxicology, , Volume: 11, Issue:12	2015

tedizolid phosphate

Description

Cross-References

Synonyms (60)

Roles (3)

Drug Classes (6)

Bioassays (11)

Research

Studies (112)

Study Types

Related Drugs (1,076)

Drugs in this Class (710)

Drugs with this Function (334)

Drugs in Same Class and Function (32)

Drugs Involved in Assays Together (29)

Drugs Researched Together (52)

Related Conditions (71)

Safety/Toxicity (12)

Pharmacokinetics (16)

Bioavailability (13)

Dosage (18)

Interactions (1)