Page last updated: 2024-08-04 02:18:38

nu 1025

Description

NU 1064: structure in first source [MeSH]

NU 1025 : A member of the class of quinazolines that is quinazolin-4(1H)-one substituted by a hydroxy group at position 8 and a methyl group at position 2. It has been shown to exhibit inhibitory activity against poly(ADP-ribose) polymerase. [CHeBI]

Cross-References

ID Source	ID
PubMed CID	135398517
CHEMBL ID	123904
SCHEMBL ID	215529
CHEBI ID	75399
MeSH ID	M0297952

Synonyms (61)

Synonym
nu 1025 ,
HMS3267F20
BRD-K48692744-001-01-2
nsc-696807
NCI60_034479
nu-1025, >=97% (hplc), solid
tocris-1401
NCGC00025146-01
nu1025
8-hydroxy-2-methyl-3-hydro-quinazolin-4-one
nu1 ,
DB02690
4PAX ,
8-hydroxy-2-methylquinazolin-4-[3h]-one
nsc696807
8-hydroxy-2-methylquinazoline-4-one
8-hydroxy-2-methyl-1h-quinazolin-4-one
CHEMBL123904 ,
chebi:75399 ,
nu-1025
8-hydroxy-2-methyl-3h-quinazolin-4-one
8-hydroxy-2-methylquinazolin-4(3h)-one ,
8-hydroxy-2-methyl-3h-quinazolin-4-one (nu1025)
bdbm50068774
A843539
8-hydroxy-2-methyl-1h-quinazolin-4-one;nu1025
AKOS006273983
90417-38-2
8-hydroxy-2-methylquinazolin-4(1h)-one
nsc 696807
4(1h)-quinazolinone, 8-hydroxy-2-methyl-
x5zl2c7v9b ,
nu 1064
unii-x5zl2c7v9b
BCP9001000
FT-0642169
S7730
SCHEMBL215529
8-hydroxy-2-methyl-4(3h)-quinazolinone
YJDAOHJWLUNFLX-UHFFFAOYSA-N
4PNM
J-519442
DTXSID20238166
SR-01000597557-1
sr-01000597557
8-hydroxy-2-methyl-3,4-dihydroquinazolin-4-one
AS-63886
parp inhibitor vi, nu1025 - cas 90417-38-2
HY-15044
HMS3676M16
Q27093640
BCP27646
nu-1025;nu1025
HMS3412M16
HMS3886J17
CCG-266404
cid 63306
NCGC00390481-01
CS-0003717
D95563
NCGC00025146-05

Roles (1)

Role	Description
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	An EC 2.4.2.* (pentosyltransferase) inhibitor that interferes with the action of a NAD(+) ADP-ribosyltransferase (EC 2.4.2.30).

Drug Classes (2)

Class	Description
quinazolines	Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.
phenols	Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.

Protein Targets (13)

Potency Measurements

Protein	Taxonomy	Measurement	Average (mM)	Bioassay(s)
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	12.5893	AID2147
phosphopantetheinyl transferase	Bacillus subtilis	Potency	56.2341	AID1490
TDP1 protein	Homo sapiens (human)	Potency	18.8375	AID686979
cytochrome P450 2D6 isoform 1	Homo sapiens (human)	Potency	12.5893	AID891
cytochrome P450 2C19 precursor	Homo sapiens (human)	Potency	0.3981	AID899
cytochrome P450 2C9 precursor	Homo sapiens (human)	Potency	3.9811	AID883
lethal factor (plasmid)	Bacillus anthracis str. A2012	Potency	12.5893	AID912
Histamine H2 receptor	Cavia porcellus (domestic guinea pig)	Potency	3.9811	AID883

Inhibition Measurements

Protein	Taxonomy	Measurement	Average (mM)	Bioassay(s)
Chain A, Poly(adp-ribose) Polymerase	Gallus gallus (chicken)	IC50	0.4000	AID977608
Chain A, Poly(adp-ribose) Polymerase	Gallus gallus (chicken)	IC50	0.4000	AID977608
Chain A, Poly(adp-ribose) Polymerase	Gallus gallus (chicken)	IC50	0.4000	AID977608
Poly [ADP-ribose] polymerase 1	Homo sapiens (human)	Ki	0.0500	AID1638254; AID238371
Poly [ADP-ribose] polymerase 1	Mus musculus (house mouse)	IC50	0.4000	AID162403

Bioassays (16)

Assay ID	Title	Year	Journal	Article
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4 ISSN: 2211-1247	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
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.
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.
AID1460948	Binding affinity to human telomeric 23 G-quadruplex DNA assessed as change in melting temperature at 10 molequiv after 30 mins by CD spectra analysis	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9 ISSN: 1520-4804	Lead Discovery of Dual G-Quadruplex Stabilizers and Poly(ADP-ribose) Polymerases (PARPs) Inhibitors: A New Avenue in Anticancer Treatment.
AID1460949	Binding affinity to human telomeric 26 G-quadruplex DNA assessed as change in melting temperature at 10 molequiv after 30 mins by CD spectra analysis	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9 ISSN: 1520-4804	Lead Discovery of Dual G-Quadruplex Stabilizers and Poly(ADP-ribose) Polymerases (PARPs) Inhibitors: A New Avenue in Anticancer Treatment.
AID154620	poly(ADP-ribose)-polymerase (PARP) inhibition	2001	Journal of medicinal chemistry, Nov-08, Volume: 44, Issue:23 ISSN: 0022-2623	Modeling of poly(ADP-ribose)polymerase (PARP) inhibitors. Docking of ligands and quantitative structure-activity relationship analysis.
AID1460950	Binding affinity to human telomeric 23-p G-quadruplex DNA assessed as change in melting temperature at 10 molequiv after 30 mins by CD spectra analysis	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9 ISSN: 1520-4804	Lead Discovery of Dual G-Quadruplex Stabilizers and Poly(ADP-ribose) Polymerases (PARPs) Inhibitors: A New Avenue in Anticancer Treatment.
AID1638254	Inhibition of PARP1 (unknown origin)	2019	European journal of medicinal chemistry, Mar-01, Volume: 165ISSN: 1768-3254	Medicinal chemistry approaches of poly ADP-Ribose polymerase 1 (PARP1) inhibitors as anticancer agents - A recent update.
AID162403	Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells	1998	Journal of medicinal chemistry, Dec-17, Volume: 41, Issue:26 ISSN: 0022-2623	Resistance-modifying agents. 5. Synthesis and biological properties of quinazolinone inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase (PARP).
AID492571	Cytotoxicity against mouse L1210 cells	2010	Journal of medicinal chemistry, Jun-24, Volume: 53, Issue:12 ISSN: 1520-4804	Evolution of poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors. From concept to clinic.
AID238371	Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme	2004	Journal of medicinal chemistry, Oct-21, Volume: 47, Issue:22 ISSN: 0022-2623	Design, synthesis, and evaluation of 3,4-dihydro-2H-[1,4]diazepino[6,7,1-hi]indol-1-ones as inhibitors of poly(ADP-ribose) polymerase.
AID1745855	NCATS anti-infectives library activity on the primary C. elegans qHTS viability assay	2023	Disease models & mechanisms, 03-01, Volume: 16, Issue:3 ISSN: 1754-8411	In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID1745854	NCATS anti-infectives library activity on HEK293 viability as a counter-qHTS vs the C. elegans viability qHTS	2023	Disease models & mechanisms, 03-01, Volume: 16, Issue:3 ISSN: 1754-8411	In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID977608	Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB	2014	Acta crystallographica. Section D, Biological crystallography, Oct, Volume: 70, Issue:Pt 10 ISSN: 1399-0047	Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
AID1811	Experimentally measured binding affinity data derived from PDB	1998	Biochemistry, Mar-17, Volume: 37, Issue:11 ISSN: 0006-2960	Inhibitor and NAD+ binding to poly(ADP-ribose) polymerase as derived from crystal structures and homology modeling.
AID977608	Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB	1998	Biochemistry, Mar-17, Volume: 37, Issue:11 ISSN: 0006-2960	Inhibitor and NAD+ binding to poly(ADP-ribose) polymerase as derived from crystal structures and homology modeling.

Research

Studies (38)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	4 (10.53)	18.2507
2000's	14 (36.84)	29.6817
2010's	15 (39.47)	24.3611
2020's	5 (13.16)	2.80

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	4 (10.26%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	35 (89.74%)	84.16%

Substance	Classes	Roles	Relationship Strength
rtki cpd	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector	low
alfuzosin	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent	low
bunazosin	quinazolines		low
cgs 15943	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant	low
cl 387785	bromobenzenes; quinazolines; secondary carboxamide; ynamide	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	low
doxazosin	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent	low
whi p97	quinazolines		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
metolazone	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor	low
pd 153035	aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	low
pd168393	acrylamides; bromobenzenes; quinazolines; secondary carboxamide; substituted aniline	epidermal growth factor receptor antagonist	low
prazosin	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor	low
terazosin	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent	low
methaqualone	quinazolines	GABA agonist; sedative	low
quinethazone	quinazolines	antihypertensive agent; diuretic	low
quinazolines	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines		low
mecloqualone	quinazolines		low
quinelorane	quinazolines		low
halofuginone	quinazolines		low
glycosine	quinazolines		low
febrifugine	quinazolines		low
2,3-trimethylene-4-quinazolone	quinazolines		low
fenquizone	quinazolines		low
fenazaquin	quinazolines	acaricide; mitochondrial NADH:ubiquinone reductase inhibitor	low
fluquinconazole	conazole fungicide; dichlorobenzene; organofluorine compound; quinazolines; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor	low
gefitinib	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
cyclazosin	aromatic amide; aromatic ether; furans; monocarboxylic acid amide; quinazolines; quinoxaline derivative	adenosine A2A receptor antagonist	low
glyantrypine	quinazolines		low
canertinib	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	low
erlotinib	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor	low
lapatinib	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	low
(5-amino-3-triazolo[1,5-a]quinazolinyl)-(4-morpholinyl)methanone	quinazolines		low
mrs 1220	quinazolines		low
3-deoxyvasicine	quinazolines		low
N-benzylquinazolin-4-amine	benzenes; quinazolines; secondary amino compound		low
2-(4-hydroxy-3-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one	quinazolines		low
N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine	quinazolines		low
N-(2-pyridinylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine	quinazolines		low
N-[2-methyl-4-oxo-3-(phenylmethyl)-7-(1-piperidinyl)-6-quinazolinyl]-3-pyridinecarboxamide	quinazolines		low
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide	quinazolines		low
2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one	quinazolines		low
N-[3-(trifluoromethyl)phenyl]-4-quinazolinamine	quinazolines		low
2-[(2-cyclohexyl-4-quinazolinyl)thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide	quinazolines		low
3-[[[[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-6-quinazolinyl]amino]-oxomethyl]amino]propanoic acid ethyl ester	quinazolines		low
2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinone	quinazolines		low
2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]acetic acid cyclohexyl ester	quinazolines		low
2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one	quinazolines		low
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline	pyridines; pyrrolidines; quinazolines		low
5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline	quinazolines		low
2-[[2-[(2-methoxy-2-oxoethyl)thio]-4-oxo-3-quinazolinyl]oxy]acetic acid methyl ester	quinazolines		low
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one	quinazolines		low
3-methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone	quinazolines		low
3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one	quinazolines		low
N1-(6-bromo-4-quinazolinyl)-N4,N4-dimethylbenzene-1,4-diamine	quinazolines		low
N-(3-fluorophenyl)-2-(pyridin-4-yl)quinazolin-4-amine	aromatic amine; monofluorobenzenes; pyridines; quinazolines; secondary amino compound; substituted aniline		low
3-methyl-2-[2-(4-methyl-5-thiazolyl)ethylthio]-4-quinazolinone	quinazolines		low
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-3-quinazolinyl)acetamide	quinazolines		low
6-bromo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine	piperidines; quinazolines; tertiary amino compound; toluenes		low
2-(2-furanyl)-3-(6-methyl-2-pyridinyl)-4-quinazolinone	quinazolines		low
2-(4-methoxyphenyl)-3-(3-pyridinyl)-4-quinazolinone	quinazolines		low
2-phenyl-1H-quinazoline-4-thione	quinazolines		low
2-(ethylthio)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one	quinazolines		low
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide	quinazolines		low
1,3-dimethyl-6-(4-morpholinylsulfonyl)quinazoline-2,4-dione	quinazolines		low
6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione	quinazolines		low
6-methoxy-4-methyl-2-[(2-methylphenyl)methylthio]quinazoline	quinazolines		low
2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline	quinazolines		low
7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline	quinazolines		low
2-(3-methoxyphenyl)-4-propan-2-yloxyquinazoline	quinazolines		low
2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone	quinazolines		low
N-(phenylmethyl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide	quinazolines		low
2-(6-amino-2-methyl-4-oxo-3-quinazolinyl)-N-(2-methylphenyl)acetamide	quinazolines		low
6-amino-3-[(2-chlorophenyl)methyl]-2-propyl-4-quinazolinone	quinazolines		low
2-(4-chlorophenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinazolinamine	quinazolines		low
4-(4-ethoxycarbonylanilino)-2-quinazolinecarboxylic acid ethyl ester	quinazolines		low
4-(4-anilinoanilino)-2-quinazolinecarboxylic acid ethyl ester	quinazolines		low
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone	quinazolines		low
N-(2,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)-4-quinazolinamine	quinazolines		low
3-(4-oxo-3-quinazolinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide	quinazolines		low
4-methoxy-N-[2-[(4-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]benzamide	quinazolines		low
N-(4-methoxyphenyl)-2-(3-nitrophenyl)-4-quinazolinamine	quinazolines		low
2-[(2-tert-butyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide	quinazolines		low
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone	quinazolines		low
2-[(2-propyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide	quinazolines		low
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-propyl-4-quinazolinyl)thio]ethanone	quinazolines		low
N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide	quinazolines		low
Src Inhibitor-1	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
6,7-dimethoxy-N-[(4-methylphenyl)methyl]-4-quinazolinamine	quinazolines		low
9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline	quinazolines		low
2-[(2,4-dichlorophenyl)methylthio]-6,7-dimethoxy-3-(thiophen-2-ylmethyl)-4-quinazolinimine	quinazolines		low
7-chloro-N-(2-furanylmethyl)-4-quinazolinamine	quinazolines		low
4-methoxy-N-(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide	quinazolines		low
SMER 28	organobromine compound; quinazolines; secondary amino compound	autophagy inducer	low
4-methoxy-2-(4-propoxyphenyl)quinazoline	quinazolines		low
2-butoxy-3-phenyl-4-quinazolinone	quinazolines		low
N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine	pyridines; quinazolines; tertiary amino compound		low
4-chloro-N-(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide	quinazolines		low
2-(2-bromophenyl)-5-[(7-nitro-4-quinazolinyl)oxymethyl]-1,3,4-oxadiazole	quinazolines		low
3-[[4-(2-benzofuranyl)-2-thiazolyl]methyl]-2-[(dimethylamino)methyl]-4-quinazolinone	quinazolines		low
3-(benzenesulfonyl)-N-(3-methylphenyl)-5-triazolo[1,5-a]quinazolinamine	quinazolines		low
4-[2-[[3-(4-methylphenyl)-5-triazolo[1,5-a]quinazolinyl]amino]ethyl]benzenesulfonamide	quinazolines		low
6-bromo-3-[4-nitro-3-(trifluoromethyl)phenyl]-2-propyl-4-quinazolinone	quinazolines		low
12-oxo-N-(4-phenyl-2-thiazolyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide	quinazolines		low
4,5-dimethyl-2-[[1-oxo-2-(4-quinazolinyloxy)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester	quinazolines		low
7-[(6,8-dichloro-4-quinazolinyl)oxymethyl]-5-thiazolo[3,2-a]pyrimidinone	quinazolines		low
N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide	quinazolines		low
2-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide	quinazolines		low
2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(thiophen-2-ylmethyl)acetamide	quinazolines		low
3-(2-furanylmethyl)-4-oxo-N,N-dipropyl-2-sulfanylidene-1H-quinazoline-7-carboxamide	quinazolines		low
7-(4-quinazolinyloxymethyl)-5-thiazolo[3,2-a]pyrimidinone	quinazolines		low
N'-(4-quinazolinyl)acetohydrazide	quinazolines		low
4-methyl-N'-(4-quinazolinyl)benzohydrazide	quinazolines		low
N-{3-[(2-phenylquinazolin-4-yl)amino]phenyl}acetamide	acetamide; aromatic amine; quinazolines; secondary amino compound; substituted aniline		low
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide	quinazolines		low
2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-cyclopropylacetamide	quinazolines		low
N4-(5-Fluoro-4-imino-3,4-dihydroquinazolin-3-yl)isonicotinamide	quinazolines		low
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
2-[(4-chlorophenyl)methyl]-4-(prop-2-enylthio)quinazoline	quinazolines		low
2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine	quinazolines		low
7-chloro-2-methyl-3-(4-pyridylmethyl)-3,4-dihydroquinazolin-4-one	quinazolines		low
2-[(7-chloro-4-quinazolinyl)oxy]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone	quinazolines		low
3,3-dimethyl-1-[[9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]thio]-2-butanone	quinazolines		low
2-(4,6,7-Trimethyl-2-quinazolinyl)guanidine	quinazolines		low
LSM-19241	quinazolines		low
LSM-19663	quinazolines		low
N-[7-(2-furanyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide	quinazolines		low
2-(2,4-dichlorophenyl)-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one	quinazolines		low
4-(3-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione	quinazolines		low
4-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester	quinazolines		low
2-(3-nitrophenyl)-N-(phenylmethyl)-4-quinazolinamine	quinazolines		low
3-(2-furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one	quinazolines		low
LSM-19894	quinazolines		low
importazole	quinazolines		low
2-(1,3-benzothiazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one	quinazolines		low
6,7-dimethoxy-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
4-(6-quinolinyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione	quinazolines		low
9-phenyl-1,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline	quinazolines		low
2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]propanenitrile	quinazolines		low
altanserin	quinazolines		low
tandutinib	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
zd 6474	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor	low
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide	quinazolines		low
2-(methylthio)-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one	quinazolines		low
N'-[2-[(2-cyclohexyl-4-quinazolinyl)thio]-1-oxoethyl]-2-methylpropanehydrazide	quinazolines		low
1-(3,5-dimethyl-1-piperidinyl)-2-[[2-(thiophen-2-ylmethyl)-4-quinazolinyl]thio]ethanone	quinazolines		low
ml106	quinazolines		low
6-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine	quinazolines		low
N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinamine	quinazolines		low
6-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(2-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3-pyridinyl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-furanyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-methoxyphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
6-(2-chlorophenyl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine	quinazolines		low
6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-furanyl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
N-[(3-methylphenyl)methyl]-6-(3-pyridinyl)-4-quinazolinamine	quinazolines		low
2-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(phenylmethyl)acetamide	quinazolines		low
3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
3-[2-[butyl(methyl)amino]ethyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
N-(3-chlorophenyl)-2-[6,7-dimethoxy-2,4-dioxo-3-(2-oxolanylmethyl)-1-quinazolinyl]acetamide	quinazolines		low
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide	quinazolines		low
2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide	quinazolines		low
2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-furanylmethyl)acetamide	quinazolines		low
2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one	quinazolines		low
3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-3-cyclopentyl-2,4-dioxo-1H-quinazoline-7-carboxamide	quinazolines		low
6,7-diethoxy-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
2-(1,3-benzodioxol-5-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one	quinazolines		low
5-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-furanylmethyl)pentanamide	quinazolines		low
6-chloro-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
2,4-dioxo-3-(2-oxolanylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide	quinazolines		low
4-[1,3-dioxo-3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)amino]propyl]-1-piperazinecarboxylic acid ethyl ester	quinazolines		low
N-butyl-2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]acetamide	quinazolines		low
6,7-diethoxy-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
savirin	quinazolines		low
4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(3-methoxypropyl)-1-cyclohexanecarboxamide	quinazolines		low
6,7-dimethoxy-4-(2-oxolanylmethylamino)-1H-quinazoline-2-thione	quinazolines		low
N-(5-methyl-1H-pyrazol-3-yl)-2-[[3-oxo-2-(phenylmethyl)-2H-imidazo[1,2-c]quinazolin-5-yl]thio]acetamide	quinazolines		low
3-(4-chlorophenyl)-2-(1-pyrrolidinyl)-4-quinazolinone	quinazolines		low
2-[2,4-dioxo-3-(phenylmethyl)-1-quinazolinyl]-N-(5-methyl-3-isoxazolyl)acetamide	quinazolines		low
2-(2-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one	quinazolines		low
4-[4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester	quinazolines		low
3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one	quinazolines		low
1-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-3-(3-pyridinylmethyl)thiourea	quinazolines		low
3-[3-(N-ethylanilino)propyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
8-methylene-7-(phenylmethyl)-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione	quinazolines		low
2-[4-methoxy-3-(4-morpholinylmethyl)phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one	quinazolines		low
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide	quinazolines		low
N-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]benzamide	quinazolines		low
7-chloro-3-hydroxy-2-[3-(trifluoromethyl)phenyl]-4-quinazolinone	quinazolines		low
3,5-diethyl-2-(3-hydroxypropylamino)-5-methyl-6H-benzo[h]quinazolin-4-one	quinazolines		low
3-(2-methoxyphenyl)-2-methyl-4-oxo-1H-quinazoline-2-carboxylic acid methyl ester	quinazolines		low
1-butyl-1-methyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea	quinazolines		low
N,N-diethyl-2-[[7-[(4-methoxyphenyl)methyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]thio]acetamide	quinazolines		low
6-(4-morpholinyl)-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]hexanamide	quinazolines		low
N-[4-oxo-2-(2-pyridinyl)-1,2-dihydroquinazolin-3-yl]acetamide	quinazolines		low
N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-quinazolinylthio)acetamide	quinazolines		low
3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester	quinazolines		low
2-(2-bromophenyl)-3-[3-(4-morpholinyl)propyl]-1,2-dihydroquinazolin-4-one	quinazolines		low
sch 79797	quinazolines		low
3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one	quinazolines		low
2-(2-(5-bromo-1h-indol-3-yl)ethyl)-3-(1-methylethoxyphenyl)-4-(3h)-quinazolinone	quinazolines		low
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]carbamic acid ethyl ester	quinazolines		low
2-(4-morpholinyl)-10-pyridazino[6,1-b]quinazolinone	quinazolines		low
N-(4-ethylphenyl)-2-[[3-[3-(4-methyl-1-piperidinyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide	quinazolines		low
N-(3-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}phenyl)acetamide	acetamide; aromatic amine; monofluorobenzenes; quinazolines; secondary amino compound; substituted aniline		low
1-cyclohexyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea	quinazolines		low
N-(2-methoxyethyl)-4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide	quinazolines		low
4-(4-propan-2-ylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one	quinazolines		low
6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide	quinazolines		low
N-(3-methoxyphenyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]-2-phenylacetamide	quinazolines		low
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		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
2-(4-oxo-3-quinazolinyl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide	quinazolines		low
N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamic acid ethyl ester	quinazolines		low
7-chloro-3-[2-(1-cyclohexenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
4-[2-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide	quinazolines		low
2-[[3-butyl-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]acetamide	quinazolines		low
4-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione	quinazolines		low
2-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one	quinazolines		low
N-cycloheptyl-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide	quinazolines		low
cb676475	quinazolines		low
1,5-dioxo-2,4-dihydropyrrolo[1,2-a]quinazoline-3-carboxylic acid ethyl ester	quinazolines		low
GSK3-XIII	aromatic amine; pyrazoles; quinazolines; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor	low
2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-pyridinyl)-1,4,6,8-tetrahydroquinazolin-5-one	quinazolines		low
N-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-4-quinazolinamine	quinazolines		low
N-[3-(4-morpholinyl)propyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide	quinazolines		low
3-(2-methoxyethyl)-2,4-dioxo-N-pentyl-1H-quinazoline-7-carboxamide	quinazolines		low
2-[(1-amino-1-oxopropan-2-yl)thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester	quinazolines		low
ic 87114	6-aminopurines; biaryl; quinazolines	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
zm 447439	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor	low
linagliptin	aminopiperidine; quinazolines	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent	low
bibw 2992	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	low
sotrastaurin	indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines	anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent	low
saracatinib	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent	low
luotonin a	quinazolines		low
PDGF receptor tyrosine kinase inhibitor III	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; quinazolines; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
erastin	aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide	antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor	low
azd 8931	aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	low
azd 1152	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug	low
pf 00299804	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
lapatinib ditosylate	quinazolines		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
N-(2-methoxyethyl)-2-[[3-[(4-methoxyphenyl)methyl]-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]acetamide	quinazolines		low
4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxo-N-propan-2-ylbutanamide	quinazolines		low
N-butyl-N-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxobutanamide	quinazolines		low
2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxo-3-quinazolinyl]phenyl]-N-(2-oxolanylmethyl)acetamide	quinazolines		low
2-[6,7-dimethoxy-3-(3-methoxyphenyl)-2,4-dioxo-1-quinazolinyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide	quinazolines		low
N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-3-quinazolinyl]propanamide	quinazolines		low
1-[(4-methylphenyl)methyl]-2,4-dioxo-N-(phenylmethyl)-3-prop-2-enyl-7-quinazolinecarboxamide	quinazolines		low
3-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide	quinazolines		low
2-[1-(4-bromophenoxy)butyl]-8,9-dimethoxy-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione	quinazolines		low
azd 1152-hqpa	anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor	low
N-[3-(diethylamino)propyl]-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxobutanamide	quinazolines		low
N-(3-ethynylphenyl)-6,7-dimethoxy-4-quinazolinamine	quinazolines		low
chaetominine	indole alkaloid; lactam; organic heterotetracyclic compound; quinazolines	metabolite	low
N-[3-(1-azepanyl)propyl]-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide	quinazolines		low
2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]-N-(2-oxolanylmethyl)acetamide	quinazolines		low
2-[[2-[2-(1-piperidinyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide	quinazolines		low
3-(4-methylphenyl)-5-oxo-N-propyl-8-thiazolo[2,3-b]quinazolinecarboxamide	quinazolines		low
3-(4-methylphenyl)-5-oxo-8-thiazolo[2,3-b]quinazolinecarboxamide	quinazolines		low
zm323881	aromatic ether; benzyl ether; fluorophenol; halophenol; monofluorobenzenes; organic cation; quinazolines; secondary amino compound; substituted aniline	vascular endothelial growth factor receptor antagonist	low
6-(3,5-dimethyl-4-isoxazolyl)-N-[(3-methoxyphenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3,5-dimethyl-4-isoxazolyl)-N-[(2-ethoxyphenyl)methyl]-4-quinazolinamine	quinazolines		low
N-[4-[[[6-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide	quinazolines		low
6-(3,5-dimethyl-4-isoxazolyl)-N-[(1-methyl-2-piperidinyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3,5-dimethyl-4-isoxazolyl)-N-[1-(2-furanyl)ethyl]-4-quinazolinamine	quinazolines		low
6-(3,5-dimethyl-4-isoxazolyl)-N-[(3-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
4-[2-[(6-chloro-4-quinazolinyl)amino]ethyl]phenol	quinazolines		low
ast 1306	quinazolines		low
2-[[2-(phenoxymethyl)-4-quinazolinyl]thio]acetic acid methyl ester	quinazolines		low
poziotinib	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist	low
N-[4-[[5-[5-hydroxy-4-oxo-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide	quinazolines		low
N-(2-furanylmethyl)-N-methyl-6-(1-methyl-5-indolyl)-4-quinazolinamine	quinazolines		low
6-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3-methoxyphenyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-pyridinyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-methylphenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(1-methyl-5-indolyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinazolinamine	quinazolines		low
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
6-(1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-methylphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
6-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-chlorophenyl)-4-quinazolinamine	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-4-quinazolinamine	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-pyridinyl)-4-quinazolinamine	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-furanyl)-4-quinazolinamine	quinazolines		low
6-(2-chlorophenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3-chlorophenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3-methoxyphenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
N-[(4-methyl-2-thiophenyl)methyl]-6-(3-pyridinyl)-4-quinazolinamine	quinazolines		low
6-(1,3-benzodioxol-5-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3-furanyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
4-[5-(3-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-furanyl]benzonitrile	quinazolines		low
2-[5-(2-fluorophenyl)-2-furanyl]-3-hydroxy-1,2-dihydroquinazolin-4-one	quinazolines		low
3-hydroxy-2-(5-thiophen-2-yl-2-furanyl)-1,2-dihydroquinazolin-4-one	quinazolines		low
2-[5-(3-fluorophenyl)-2-furanyl]-3-hydroxy-1,2-dihydroquinazolin-4-one	quinazolines		low
3-hydroxy-2-[5-[4-(trifluoromethyl)phenyl]-2-furanyl]-1,2-dihydroquinazolin-4-one	quinazolines		low
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
cp 466722	quinazolines		low
[5-[4-[(5-methyl-2-furanyl)methylamino]-6-quinazolinyl]-2-furanyl]methanol	quinazolines		low
unc 0638	quinazolines		low
unc 0321	quinazolines		low
ML240	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent	low
ncgc00242364	quinazolines		low
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	aromatic ether; methylpyridines; olefinic compound; quinazolines; secondary amino compound; secondary carboxamide; toluenes		low
N-[4-(3-chloro-4-fluoroanilino)-7-[[(3S)-3-oxolanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide	quinazolines		low
N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide	quinazolines		low
2-methoxy-n-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide	quinazolines		low
1-[amino-[(6-methoxy-4-methyl-2-quinazolinyl)amino]methylidene]-3-phenylurea	quinazolines		low
4-oxo-2-(trifluoromethyl)-1H-quinazoline-6-carboxylic acid ethyl ester	quinazolines		low
4-hydroxyquinazoline	quinazolines		low
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-quinazolin-4-one	quinazolines		low
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester	quinazolines		low
2-[[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]methyl]-1H-quinazolin-4-one	quinazolines		low
3-(4-oxo-1H-quinazolin-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide	quinazolines		low
1-cyclopentyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-(phenylmethyl)urea	quinazolines		low
6,8-dibromo-2-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-1H-quinazolin-4-one	quinazolines		low
2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3h)-quinazolinone	aryl phosphate; monochlorobenzenes; quinazolines	fluorochrome	low
glycosminine	quinazolines		low
N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)butanamide	quinazolines		low
2-(4-methoxyphenyl)-1H-quinazolin-4-one	quinazolines		low
2-[(7-methoxy-4-methyl-2-quinazolinyl)amino]-5,6-dimethyl-1H-pyrimidin-4-one	quinazolines		low
6,7-dimethoxy-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-1H-quinazolin-4-one	quinazolines		low
2-[(dimethylamino)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one	quinazolines		low
2-(diethylaminomethyl)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one	quinazolines		low
2-[5-(3-chlorophenyl)-2-furanyl]-1H-quinazolin-4-one	quinazolines		low
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-1H-quinazolin-4-one	quinazolines		low
2-[(2-pyridinylthio)methyl]-1H-quinazolin-4-one	quinazolines		low
5,5-diethyl-2-(2-hydroxyethylamino)-1,6-dihydrobenzo[h]quinazolin-4-one	quinazolines		low
1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidinecarboxamide	quinazolines		low
3-ethyl-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone	quinazolines		low
6,7-dimethoxy-2-[[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-1H-quinazolin-4-one	quinazolines		low
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(methoxymethyl)-1H-pyrimidin-4-one	quinazolines		low
5,5-diethyl-2-hydrazinyl-1,6-dihydrobenzo[h]quinazolin-4-one	quinazolines		low
3-(3-ethoxypropyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)thiourea	quinazolines		low
chrysogine	cyclic amide; quinazoline alkaloid; quinazolines; secondary alcohol; secondary amide	Aspergillus metabolite; biological pigment; marine metabolite	low
N-[(cyclohexylamino)-oxomethyl]-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide	quinazolines		low
7-[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-5-thiazolo[3,2-a]pyrimidinone	quinazolines		low
2-[[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester	quinazolines		low
ARS-1620	quinazolines	antineoplastic agent; antiviral agent; inhibitor	low
3-hydroxybenzyl alcohol	hydroxybenzyl alcohol; phenols	metabolite	low
4-hydroxybenzyl alcohol	benzyl alcohols; phenols	plant metabolite	low
4-hydroxyphenylacetic acid	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite	low
4-hydroxymandelic acid	2-hydroxy carboxylic acid; phenols	metabolite	low
4-vinylguaiacol	phenols	flavouring agent; pheromone; plant metabolite	low
4-hydroxyphenylglyoxylic acid	phenols		low
melilotic acid	monocarboxylic acid; phenols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite; human xenobiotic metabolite; plant metabolite	low
n-acetylserotonin	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist	low
4-hydroxyphenylpyruvic acid	2-oxo monocarboxylic acid; phenols	human metabolite	low
phenol	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite	low
vanillin	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite	low
8-hydroxy-2-(di-n-propylamino)tetralin	phenols; tertiary amino compound; tetralins	serotonergic antagonist	low
vanilmandelic acid	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite	low
3-hydroxybenzylhydrazine	phenols		low
3-methoxytyramine	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	biomarker; human blood serum metabolite; human urinary metabolite	low
4-hydroxybenzoic acid hydrazide	carbohydrazide; phenols		low
3-hydroxy-4-methoxyphenethylamine	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	human metabolite; rat metabolite	low
4-nonylphenol	phenols	environmental contaminant	low
acetaminophen	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	low
albuterol	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic	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
capsaicin	methoxybenzenes; phenols		low
chloroxylenol	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide	low
nonivamide	capsaicinoid; phenols	lachrymator	low
dienestrol	olefinic compound; phenols	xenoestrogen	low
edrophonium	phenols; quaternary ammonium ion	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor	low
etilefrine	phenols		low
fluorescite	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium	low
formoterol fumarate	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound		low
labetalol	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound		low
ly 171883	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist	low
mesalamine	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug	low
norfenefrine	phenols		low
ns 1619	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener	low
oxymetazoline	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent	low
oxyphenbutazone	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite	low
aminosalicylic acid	aminobenzoic acid; phenols	antitubercular agent	low
phenolphthalein	phenols		low
phenolsulfonphthalein	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator	low
Phenyliodoundecynoate	benzoate ester; phenols		low
propofol	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative	low
psilocin	hydroxyindoles; phenols; tertiary amino compound; tryptamine alkaloid	drug metabolite; fungal metabolite; hallucinogen; human xenobiotic metabolite; serotonergic agonist	low
raloxifene	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator	low
resorcinol monoacetate	phenols; phenyl acetates	antibacterial agent; dermatologic drug	low
salicylamide	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic	low
salmeterol xinafoate	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound		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
sb 202190	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
sulfobromophthalein	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye	low
triclosan	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic	low
phentolamine	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent	low
estrone	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite	low
17-desoxyestradiol	3-hydroxy steroid; phenolic steroid; phenols	estrogen	low
n-methyl-4-aminophenol	phenols	allergen	low
phenylephrine	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent	low
isoamyl salicylate	benzoate ester; phenols		low
glycol salicylate	phenols; primary alcohol; salicylates		low
2-tert-butyl-4-hydroxyanisole	aromatic ether; phenols		low
2-isopropylphenol	phenols		low
2-sec-butylphenol	phenols		low
thymol	monoterpenoid; phenols	volatile oil component	low
2-ethylphenol	phenols		low
pyrogallol 1,3-dimethyl ether	dimethoxybenzene; phenols	plant metabolite	low
acetyleugenol	benzoate ester; phenols		low
creosol	methoxybenzenes; phenols		low
synephrine	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite	low
propylparaben	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent	low
3,4-dimethylphenol	phenols		low
2,5-xylenol	phenols	animal metabolite; volatile oil component	low
2,4-di-tert-butylphenol	alkylbenzene; phenols	antioxidant; bacterial metabolite; marine metabolite	low
sulfosalicylic acid	arenesulfonic acid; benzoic acids; phenols	metabolite	low
butylphen	phenols	allergen	low
4-isopropylphenol	phenols	flavouring agent	low
2,4-dimethylphenol	aromatic fungicide; phenols	disinfectant; volatile oil component	low
3,5-xylenol	phenols	xenobiotic metabolite	low
oxyphenisatin acetate	benzoate ester; phenols		low
bromphenol blue	2,1-benzoxathiole; arenesulfonate ester; organobromine compound; phenols; sultone	acid-base indicator; dye; two-colour indicator	low
phenyl salicylate	benzoate ester; phenols; salicylates	ultraviolet filter	low
homosalate	benzoate ester; phenols		low
benzyl salicylate	benzoate ester; phenols		low
2-ethylhexyl salicylate	benzoate ester; phenols		low
2'-hydroxyacetophenone	monohydroxyacetophenone; phenols	flavouring agent	low
3-tert-butyl-4-hydroxyanisole	aromatic ether; phenols	antioxidant; human xenobiotic metabolite	low
ethyl vanillin	aromatic ether; benzaldehydes; phenols	antioxidant; flavouring agent	low
p-cresyl acetate	benzoate ester; phenols		low
3-hydroxyanisole	monomethoxybenzene; phenols		low
mequinol	methoxybenzenes; phenols	metabolite	low
ethamivan	methoxybenzenes; phenols		low
4-hydroxyphenyllactic acid	2-hydroxy carboxylic acid; phenols	bacterial metabolite; human metabolite	low
plumbagin	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite	low
topanol 354	methoxybenzenes; phenols		low
carvacrol	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component	low
phloroglucinol dimethyl ether	methoxybenzenes; phenols		low
4-hydroxyphenylethanol	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent	low
syringic acid	benzoic acids; dimethoxybenzene; phenols	plant metabolite	low
methoxyhydroxyphenylglycol	methoxybenzenes; phenols		low
paeonol	methoxybenzenes; phenols	metabolite	low
2-hydroxyphenylacetic acid	hydroxy monocarboxylic acid; phenols	human metabolite; mouse metabolite	low
2-hydroxyacetanilide	acetamides; phenols	anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite	low
3-ethylphenol	phenols		low
3-hydroxybenzeneacetic acid	monocarboxylic acid; phenols	human xenobiotic metabolite	low
3-hydroxyacetanilide	acetamides; phenols	non-narcotic analgesic	low
isovanillin	benzaldehydes; monomethoxybenzene; phenols	animal metabolite; antidiarrhoeal drug; antifungal agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; HIV protease inhibitor; plant metabolite	low
4-Ethoxyphenol	aromatic ether; phenols		low
bulbocapnine	aporphine alkaloid; aromatic ether; oxacycle; phenols	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; EC 1.4.3.22 (diamine oxidase) inhibitor; plant metabolite	low
2-propylphenol	phenols	flavouring agent; plant metabolite	low
4-cyanophenol	phenols	EC 1.4.3.4 (monoamine oxidase) inhibitor	low
2-(2'-hydroxyphenyl)benzoxazole	1,3-benzoxazoles; phenols	geroprotector	low
ethyl n-alpha-acetyl-tyrosinate	acetamides; ethyl ester; L-tyrosine derivative; phenols		low
fenadiazole	1,3,4-oxadiazoles; biaryl; phenols	sedative	low
amylmetacresol	phenols	antiseptic drug	low
4-chloro-2-cresol	monochlorobenzenes; phenols		low
antimycin a	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide	low
isobarbaloin	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite	low
dinoterb	C-nitro compound; phenols		low
4-n-Butylphenol	phenols		low
bromoxynil	dibromobenzene; hydroxynitrile; phenols	environmental contaminant; herbicide; xenobiotic	low
2-allylphenol	phenols	antifungal agrochemical	low
4-octylphenol	phenols	metabolite; surfactant; xenoestrogen	low
3-methoxy-4-hydroxyphenylethanol	methoxybenzenes; phenols		low
acetosyringone	acetophenones; dimethoxybenzene; phenols	anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite	low
bis(4-oxyphenyl)sulfide	phenols		low
hydroxyphenytoin	imidazolidine-2,4-dione; phenols	metabolite	low
2-(2-hydroxyphenyl)benzothiazole	benzothiazoles; phenols	geroprotector	low
cue-lure	benzoate ester; phenols		low
methyl vanillate	aromatic ether; benzoate ester; phenols	antioxidant; plant metabolite	low
2-isopropoxyphenol	aromatic ether; phenols		low
raspberry ketone	methyl ketone; phenols	androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite	low
laurolitsine	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite	low
4-n-Pentylphenol	phenols		low
zingerone	methyl ketone; monomethoxybenzene; phenols	anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent	low
4-ethylphenol	phenols	fungal xenobiotic metabolite	low
butylated hydroxytoluene	phenols	antioxidant; ferroptosis inhibitor; food additive; geroprotector	low
2,6-di-tert-butylphenol	alkylbenzene; phenols	antioxidant	low
dimethophrine	methoxybenzenes; phenols		low
4-vinyl-2,6-dimethoxyphenol	methoxybenzenes; phenols		low
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor	low
closantel	aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols		low
fomesafen	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	low
naxagolide	organic heterotricyclic compound; phenols; tertiary amino compound	anticonvulsant; antiparkinson drug; dopamine agonist	low
4-vinylphenol	phenols	human urinary metabolite; human xenobiotic metabolite	low
4-ethylguaiacol	methoxybenzenes; phenols		low
nelfinavir	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor	low
salicylhydroxamic acid	hydroxamic acid; phenols	antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug	low
guaethol	aromatic ether; phenols; volatile organic compound	flavouring agent	low
cresatin	benzoate ester; phenols		low
4-trifluoromethylphenol	(trifluoromethyl)benzenes; phenols	drug metabolite; marine xenobiotic metabolite	low
3-pentadecylphenol	phenols		low
chavicol	phenols; phenylpropanoid		low
ibopamine	benzoate ester; phenols		low
4-methoxyestradiol	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols	estrogen; human metabolite; rat metabolite	low
2-hydroxy-4-methoxybenzaldehyde	methoxybenzenes; phenols		low
methyl syringate	benzoate ester; dimethoxybenzene; phenols	plant metabolite	low
vanitiolide	methoxybenzenes; phenols		low
tubulosine	beta-carbolines; isoquinoline alkaloid; isoquinolines; phenols; secondary amino compound; tertiary amino compound		low
rubrofusarin	aromatic ether; benzochromenone; phenols; polyketide	biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; fungal metabolite	low
dauricine	aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound	plant metabolite	low
2,5-di-tert-butyl-4-hydroxyanisole	methoxybenzenes; phenols		low
methyl gentisate	benzoate ester; phenols		low
4-hydroxyindole	hydroxyindoles; phenols		low
benzoyltyrosine ethyl ester	benzamides; ethyl ester; L-tyrosine derivative; phenols	chromogenic compound	low
methyl 3-(4-hydroxyphenyl)propionate	methyl ester; phenols	nitrification inhibitor; plant growth regulator	low
4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene	phenols		low
acetaminophen mercapturate	acetamides; organic sulfide; phenols; S-substituted N-acetyl-L-cysteine	drug metabolite; human urinary metabolite; rat metabolite	low
adriamycinol	aminoglycoside; anthracycline antibiotic; aromatic ether; deoxy hexoside; p-quinones; phenols; polyol; tetracenequinones	cardiotoxic agent; drug metabolite	low
3-hydroxymandelic acid	2-hydroxy monocarboxylic acid; phenols	human metabolite	low
n-acetyltyrosine, (dl)-isomer	N-acetyl-amino acid; phenols; tyrosine derivative	human urinary metabolite	low
2-tyrosine	non-proteinogenic alpha-amino acid; phenols; phenylalanine derivative		low
2-amino-5-chlorophenol	monochlorobenzenes; phenols; primary amino compound		low
beta-peltatin	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; plant metabolite	low
alpha-peltatin	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; metabolite	low
laudanine	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; phenols; racemate		low
tyrphostin 8	phenols		low
4-hydroxymexiletine	aromatic ether; phenols		low
sugiol	abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols	antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger	low
gamma-glutamyltyrosine	dicarboxylic acid; dipeptide; phenols; primary amino compound; secondary carboxamide	human metabolite	low
6-paradol	ketone; monomethoxybenzene; phenols		low
2-hydroxy-5-methoxybenzaldehyde	benzaldehydes; monomethoxybenzene; phenols		low
4-(4-hydroxyphenyl)-2-butanol	phenols		low
tetrangulol	p-quinones; phenols; tetraphenes	bacterial metabolite	low
terphenyllin	dimethoxybenzene; para-terphenyl; phenols	Aspergillus metabolite; mycotoxin	low
2,3-bis(4-hydroxyphenyl)-propionitrile	nitrile; phenols	estrogen receptor agonist	low
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid	dihydroxy monocarboxylic acid; phenols	human urinary metabolite	low
sn 38	delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol	antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor	low
ly 117018	1-benzothiophenes; aromatic ketone; N-alkylpyrrolidine; phenols	bone density conservation agent; estrogen receptor antagonist; estrogen receptor modulator	low
5-hydroxypropafenone	phenols		low
4'-hydroxydiclofenac	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite	low
3-chloro-4-hydroxyphenylacetic acid	hydroxy monocarboxylic acid; monochlorobenzenes; phenols	mammalian metabolite	low
eseroline	phenols; pyrroloindole	human xenobiotic metabolite; opioid analgesic	low
hydrangenol	dihydroisocoumarins; phenols	anti-allergic agent; plant metabolite	low
maculosin	dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine	metabolite	low
2-o-methylpyrogallol	methoxybenzenes; phenols		low
dopamine 3-o-sulfate	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite	low
estriol-16 alpha-glucuronide	17beta-hydroxy steroid; 3-hydroxy steroid; beta-D-glucosiduronic acid; phenols; steroid glucosiduronic acid	human urinary metabolite	low
emodin anthrone	anthracenone; phenols	fungal metabolite	low
4'-demethylpodophyllotoxin	furonaphthodioxole; organic heterotetracyclic compound; phenols	metabolite	low
4'-demethylepipodophyllotoxin	furonaphthodioxole; organic heterotetracyclic compound; phenols	antineoplastic agent	low
dopamine 4-o-sulfate	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite	low
rubimaillin	benzochromene; methyl ester; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite	low
desvenlafaxine	cyclohexanols; phenols; tertiary amino compound	antidepressant; drug metabolite; marine xenobiotic metabolite	low
ay 25545	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite	low
tilivalline	indole alkaloid; indoles; phenols; pyrrolobenzodiazepine	bacterial metabolite; microtubule-stabilising agent; toxin	low
4-acetamidophenyl-2-thiophenecarboxylate	benzoate ester; phenols		low
yakuchinone-a	ketone; monomethoxybenzene; phenols	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
cd 437	adamantanes; monocarboxylic acid; naphthoic acid; phenols	apoptosis inducer; retinoic acid receptor gamma agonist	low
aclacinomycin	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite	low
n-methylserotonin	phenols; tryptamines	human metabolite; plant metabolite	low
endocrocin	monocarboxylic acid; phenols; trihydroxyanthraquinone	metabolite	low
actinodaphine	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor	low
sulochrin	benzophenones; carboxylic ester; phenols	metabolite	low
isohomovanillic acid	aromatic ether; phenols; phenylacetic acids	metabolite	low
3,5-diiodothyropropionic acid	aromatic ether; monocarboxylic acid; organoiodine compound; phenols		low
4-hydroxybenzyl isothiocyanate	phenols		low
4'-demethyldesoxypodophyllotoxin	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols	antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite	low
myricanone	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite	low
pannarin	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite	low
gingerdione	beta-diketone; monomethoxybenzene; phenols		low
etilefrine hydrochloride	phenols		low
8-gingerol	beta-hydroxy ketone; monomethoxybenzene; phenols		low
10-gingerol	beta-hydroxy ketone; monomethoxybenzene; phenols		low
pluviatolide	aromatic ether; benzodioxoles; butan-4-olide; lignan; phenols	plant metabolite	low
nordihydrocapsaicin	methoxybenzenes; phenols		low
erysodine	aromatic ether; diether; Erythrina alkaloid; organic heterotetracyclic compound; phenols	antiparasitic agent; nicotinic antagonist; phytogenic insecticide	low
isomhpg	methoxybenzenes; phenols		low
rubrofusarin B	aromatic ether; benzochromenone; naphtho-gamma-pyrone; phenols; polyketide	Aspergillus metabolite	low
top 53	furonaphthodioxole; gamma-lactone; organic heterotetracyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
2,5-dihydroxybenzyl alcohol	aromatic primary alcohol; phenols	antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite	low
n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide	anilide fungicide; aromatic amide; dichlorobenzene; monocarboxylic acid amide; phenols	antifungal agrochemical; EC 1.14.13.72 (methylsterol monooxygenase) inhibitor; sterol biosynthesis inhibitor	low
deferasirox	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator	low
succinobucol	benzoate ester; phenols		low
fonsecin	aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols	Aspergillus metabolite; marine metabolite	low
4-allyl-2,6-dimethoxyphenol	dimethoxybenzene; phenols; phenylpropanoid		low
lariciresinol	aromatic ether; lignan; oxolanes; phenols; primary alcohol	antifungal agent; plant metabolite	low
4-(2-Amino-1,3-thiazol-4-yl)phenol	phenols		low
3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene	benzoate ester; phenols		low
maackiain	phenols; pterocarpans		low
2-methoxyestrone	17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols	human metabolite; mouse metabolite	low
metoprolol tartrate	alcohol; phenols		low
ferruginol	abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols	antibacterial agent; antineoplastic agent; plant metabolite; protective agent	low
abyssinone i	monohydroxyflavanone; phenols	apoptosis inhibitor; plant metabolite	low
abyssinone v	4'-hydroxyflavanones; phenols; trihydroxyflavanone	metabolite	low
oxyacanthine	bisbenzylisoquinoline alkaloid; isoquinolines; macrocycle; phenols; tertiary amino compound		low
agnuside	benzoate ester; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; phenols; terpene glycoside	anti-inflammatory agent; cyclooxygenase 2 inhibitor; plant metabolite; pro-angiogenic agent	low
cleomiscosin a	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite	low
pyochelin	monocarboxylic acid; phenols; thiazolidines	metabolite; siderophore	low
yersiniabactin	monocarboxylic acid; phenols; secondary alcohol; thiazolidines	bacterial metabolite; siderophore	low
sr 12813	organic phosphonate; phenols	pregnane X receptor agonist	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
stigmatellin	aromatic ether; chromones; olefinic compound; phenols	bacterial metabolite; quinol oxidation site inhibitor	low
afimoxifene	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite	low
3-hydroxyhippuric acid	N-acylglycine; phenols	metabolite	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
teniposide	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
chavibetol	methoxybenzenes; phenols		low
piperlactam s	alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols	anti-inflammatory agent; antioxidant; plant metabolite	low
2-hydroxycinnamic acid	2-coumaric acid; phenols	antioxidant; metabolite	low
2'-hydroxychalcone	chalcones; phenols	anti-inflammatory agent	low
6-(hexylthio)-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile	phenols		low
5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one	methoxybenzenes; phenols		low
2-methoxy-6-[[(1-propyl-5-benzimidazolyl)amino]methyl]phenol	methoxybenzenes; phenols		low
2-methoxy-6-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol	methoxybenzenes; phenols		low
acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester	benzoate ester; phenols		low
acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester	benzoate ester; phenols		low
zucapsaicin	methoxybenzenes; phenols		low
2-hydroxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester	benzoate ester; phenols		low
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester	benzoate ester; phenols		low
acetic acid [4-[(1-oxo-2-phenylethyl)amino]phenyl] ester	benzoate ester; phenols		low
2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester	benzoate ester; phenols		low
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester	benzoate ester; phenols		low
3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester	benzoate ester; phenols		low
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester	methoxybenzenes; phenols		low
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester	methoxybenzenes; phenols		low
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile	methoxybenzenes; phenols		low
2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid (4-acetamidophenyl) ester	benzoate ester; phenols		low
monastrol	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor	low
dezocine	phenols; primary amino compound	opioid analgesic	low
3-methoxy-4-hydroxyphenylglycol sulfate	alcohol; phenols		low
5-hydroxydiclofenac	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite	low
4-hydroxyphenethylene glycol	phenols		low
5-hydroxybenzimidazole	benzimidazoles; phenols	bacterial metabolite; human metabolite; rat metabolite	low
5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester	benzoate ester; phenols		low
n,o-didesmethylvenlafaxine	cyclohexanols; phenols; secondary amino compound	drug metabolite; marine xenobiotic metabolite	low
2-hydroxybenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester	benzoate ester; phenols		low
sb 415286	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent	low
acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester	benzoate ester; phenols		low
2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] ester	benzoate ester; phenols		low
3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-methylphenyl) ester	benzoate ester; phenols		low
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	phenols; pyrazoles	estrogen receptor agonist	low
6-iodonordihydrocapsaicin	methoxybenzenes; phenols		low
3-(4-hydroxyphenyl)-1-propane	4-hydroxycinnamyl alcohol; phenols; phenylpropanoid	monolignol	low
sinapaldehyde	cinnamaldehydes; dimethoxybenzene; phenols	antifungal agent; plant metabolite	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
isobutrin	beta-D-glucoside; chalcones; monosaccharide derivative; phenols	anti-inflammatory agent; hepatoprotective agent; plant metabolite	low
euxanthone	phenols; xanthones	metabolite; plant metabolite	low
mangostin	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite	low
swerchirin	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite	low
shogaol	enone; monomethoxybenzene; phenols		low
4-hydroxychalcone	chalcones; phenols	antihypertensive agent; plant metabolite	low
4'-hydroxychalcone	chalcones; phenols	anti-inflammatory agent; antineoplastic agent	low
olvanil	methoxybenzenes; phenols		low
n-cinnamoyltyramine	cinnamamides; phenols; secondary carboxamide	allelochemical; antimicrobial agent; phytoalexin; platelet aggregation inhibitor	low
methyl brevifolincarboxylate	cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols	EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent	low
3-deoxysappanchalcone	chalcones; monomethoxybenzene; phenols	metabolite	low
rhamnazin	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite	low
alpha-cyano-4-hydroxycinnamic acid	monohydroxycinnamic acid; nitrile; phenols	MALDI matrix material	low
macluraxanthone b	phenols; xanthones	anti-HIV agent; antineoplastic agent; metabolite	low
flavokawain b	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite	low
lichexanthone	aromatic ether; phenols; xanthones	plant metabolite	low
alternariol	benzochromenone; phenols	EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin	low
sorbicillin	phenols		low
decussatin	aromatic ether; phenols; xanthones	plant metabolite	low
gamma-mangostin	phenols; xanthones	antineoplastic agent; plant metabolite; protein kinase inhibitor	low
1,7-dihydroxy-4-methoxyxanthone	aromatic ether; phenols; xanthones	metabolite; plant metabolite	low
resiniferatoxin	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist	low
flavasperone	aromatic ether; naphtho-gamma-pyrone; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; antiviral agent; Aspergillus metabolite; marine metabolite	low
su 1498	enamide; monocarboxylic acid amide; nitrile; phenols; secondary carboxamide	vascular endothelial growth factor receptor antagonist	low
n-feruloylserotonin	aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide	plant metabolite	low
tyrphostin ag825	aromatic ether; benzothiazoles; enamide; nitrile; organic sulfide; phenols; primary carboxamide	epidermal growth factor receptor antagonist	low
eupomatenoid 6	benzofurans; phenols	anti-inflammatory agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; NF-kappaB inhibitor; plant metabolite	low
7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin	organoiodine compound; phenols; tertiary amino compound; tetralins	dopamine agonist	low
monorden	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor	low
cefatrizine	amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles	antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor	low
sibiromycin	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite	low
(8)-shogaol	enone; monomethoxybenzene; phenols		low
(10)-shogaol	enone; monomethoxybenzene; phenols		low
arvanil	methoxybenzenes; phenols		low
ro 25-6981	benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound	anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist	low
3-tyrosine	hydroxyphenylalanine; L-alpha-amino acid zwitterion; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; phenols	plant metabolite	low
camostat	aromatic ether; phenols		low
jasplakinolide	cyclodepsipeptide; phenols	actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent	low
capsiate	carboxylic ester; monomethoxybenzene; phenols	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite	low
fr 148083	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor	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
pi103	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
estin	1-benzofurans; ether; methyl ester; organochlorine compound; oxaspiro compound; phenols	Aspergillus metabolite; Penicillium metabolite	low
mdl 105725	methoxybenzenes; phenols		low
ustiloxin b	aromatic ether; heterodetic cyclic peptide; macrocycle; phenols; secondary alcohol; secondary carboxamide; sulfoxide	Aspergillus metabolite; microtubule-destabilising agent; mycotoxin	low
nidulalin a	methyl ester; phenols; xanthones	antimicrobial agent; antineoplastic agent; Penicillium metabolite	low
hypothemycin	aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone	antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite	low
vernakalant	alcohol; phenols		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
arachidonoylserotonin	N-acylserotonin; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; capsaicin receptor antagonist; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; human metabolite; signalling molecule	low
avenanthramide b	amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide	antineoplastic agent; apoptosis inducer; phytoalexin	low
vilanterol	benzyl alcohols; dichlorobenzene; ether; phenols; secondary amino compound	beta-adrenergic agonist; bronchodilator agent	low
lactonamycin	gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative	antibacterial agent; antimicrobial agent; metabolite	low
nigerloxin	aromatic ether; benzamides; benzoic acids; phenols; styrenes	antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger	low
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one	diarylheptanoid; enone; phenols	plant metabolite	low
tmc-95b	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor	low
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one	diarylheptanoid; enone; phenols	plant metabolite	low
cardanol	phenols		low
glyceryl ferulate	1-monoglyceride; aromatic ether; enoate ester; phenols	antioxidant; plant metabolite; ultraviolet filter	low
laurinterol	organobromine compound; phenols; sesquiterpenoid	antibacterial agent; apoptosis inducer; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite	low
10-isobutyryloxy-8,9-epoxythymol isobutyrate	benzoate ester; phenols		low
olodaterol	aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent	low
diversonol	phenols; tertiary alcohol	antibacterial agent; metabolite	low
alloin	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite	low
sarpagine	indole alkaloid; phenols; primary alcohol; secondary amino compound; tertiary amino compound		low
1-O-feruloyl-beta-D-glucose	aromatic ether; beta-D-glucoside; cinnamate ester; phenols	antioxidant; plant metabolite	low
ligstroside	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite	low
shamixanthone	cyclic ketone; phenols; pyranoxanthene	metabolite	low
siphonazole	methoxybenzenes; phenols		low
vx-770	aromatic amide; monocarboxylic acid amide; phenols; quinolone	CFTR potentiator; orphan drug	low
4-[[(4S)-3-[2-(1-adamantyl)ethyl]-2-amino-4,5-dihydroimidazol-4-yl]methyl]phenol	phenols		low
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone	methoxybenzenes; phenols		low
respirantin	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite	low
3,4-dihydroxyphenylethanol-elenolic acid dialdehyde	alcohol; phenols		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
bromophycolide a	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite	low
diorcinol	aromatic ether; phenols	fungal metabolite; marine metabolite; metabolite	low
n-trans-feruloyloctopamine	methoxybenzenes; phenols		low
marinopyrrole a	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite	low
chondramide c	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite	low
debromoaplysiatoxin	aplysiatoxins; cyclic hemiketal; ether; organic heterotricyclic compound; phenols; secondary alcohol; spiroketal	algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist	low
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde	1-benzofurans; aldehyde; phenols	Aspergillus metabolite; Chaetomium metabolite; radical scavenger	low
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one	diarylheptanoid; ketone; phenols	plant metabolite	low
hordatine a	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite	low
chondramide a	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite	low
quinolobactin	aromatic ether; monohydroxyquinoline; phenols; quinolinemonocarboxylic acid	bacterial metabolite; siderophore	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
naloxegol	aromatic ether; organic heteropentacyclic compound; phenols; polyether; tertiary alcohol	cathartic; mu-opioid receptor antagonist	low
fertaric acid	aromatic ether; cinnamate ester; dicarboxylic acid; phenols; tetraric acid derivative		low
callipeltin a	cyclodepsipeptide; guanidines; lactone; oligopeptide; phenols	anti-HIV-1 agent; antifungal agent; metabolite	low
opt 80	carboxylic ester; glycoside; macrolide antibiotic; organochlorine compound; phenols	antibacterial drug; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor	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
ML355	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor	low
acarbose	chondramide; indoles; organochlorine compound; phenols	antineoplastic agent; bacterial metabolite	low
pf-06687252	azabicycloalkane; enone; phenols; pyridines		low
chondramide d	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite	low
biliatresone	aromatic ether; aromatic ketone; benzodioxoles; enone; phenols	plant metabolite; toxin	low
can 508	aromatic amine; monoazo compound; phenols; pyrazoles	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
quininib	phenols; styrylquinoline	angiogenesis inhibitor	low
pp242	aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine	antineoplastic agent; mTOR inhibitor	low
dehydroluciferin	1,3-thiazolemonocarboxylic acid; benzothiazoles; biaryl; phenols	animal metabolite; luciferin	low
sotorasib	acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide	antineoplastic agent	low
tilimycin	phenols; pyrrolobenzodiazepine	alkylating agent; apoptosis inducer; bacterial metabolite; toxin	low

Substance	Classes	Roles	Relationship Strength
niacinamide	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor	low
1,5-dihydroxyisoquinoline	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
3-aminobenzamide	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
phenanthridone	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen	low
pj-34	phenanthridines; secondary carboxamide; tertiary amino compound	angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent	low
rucaparib	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
veliparib	benzimidazoles	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
olaparib	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
niraparib	benzenes; indazoles; piperidines; primary carboxamide	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
niraparib	2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent	low

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	1990's	2000's	2010's	post-2020
aminolevulinic acid	1	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	2023	2023	1.0	low	0	0	0	1
coumarin	1	coumarins	fluorescent dye; human metabolite; plant metabolite	2023	2023	1.0	low	0	0	0	1
salicylic acid	1	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite	2023	2023	1.0	low	0	0	0	1
thioctic acid	1	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector	2023	2023	1.0	low	0	0	0	1
niacinamide	1	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor	2010	2010	14.0	low	0	1	0	0
picolinic acid	1	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material	2023	2023	1.0	low	0	0	0	1
thiamine	1	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	2023	2023	1.0	low	0	0	0	1
1,5-dihydroxyisoquinoline	2	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2001	2014	16.5	low	0	1	1	0
3-aminobenzamide	7	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	1998	2023	14.1	low	1	3	2	1
pleconaril	1			2023	2023	1.0	low	0	0	0	1
4-(2-aminoethyl)benzenesulfonylfluoride	1			2023	2023	1.0	low	0	0	0	1
4-amino-1,8-naphthalimide	3	benzoisoquinoline; dicarboximide		1998	2004	23.0	low	1	2	0	0
phenytoin	1	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent	2023	2023	1.0	low	0	0	0	1
phenanthridone	2	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen	2001	2010	18.5	low	0	2	0	0
acetazolamide	1	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor	2023	2023	1.0	low	0	0	0	1
5-aminoisoquinolinone	1	isoquinolines		2014	2014	10.0	low	0	0	1	0
alprenolol	1	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent	2023	2023	1.0	low	0	0	0	1
amantadine	1	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic	2023	2023	1.0	low	0	0	0	1
2-aminothiazole	1	1,3-thiazoles; primary amino compound		2023	2023	1.0	low	0	0	0	1
amodiaquine	1	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug	2023	2023	1.0	low	0	0	0	1
aspirin	1	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent	2023	2023	1.0	low	0	0	0	1
baclofen	1	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant	2023	2023	1.0	low	0	0	0	1
benzamide	2	benzamides		2001	2023	12.0	low	0	1	0	1
camostat	1	benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor	2023	2023	1.0	low	0	0	0	1
camphor, (+-)-isomer	1	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite	2023	2023	1.0	low	0	0	0	1
candesartan	1	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	0	0	1
cetylpyridinium	1	pyridinium ion		2023	2023	1.0	low	0	0	0	1
chloroxylenol	1	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide	2023	2023	1.0	low	0	0	0	1
chlorpromazine	1	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug	2023	2023	1.0	low	0	0	0	1
ciprofibrate	1	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug	2023	2023	1.0	low	0	0	0	1
clomipramine	1	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor	2023	2023	1.0	low	0	0	0	1
danthron	1	dihydroxyanthraquinone	apoptosis inducer; plant metabolite	2023	2023	1.0	low	0	0	0	1
deferiprone	1	4-pyridones	iron chelator; protective agent	2023	2023	1.0	low	0	0	0	1
dipyridamole	1	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent	2023	2023	1.0	low	0	0	0	1
disulfiram	1	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor	2023	2023	1.0	low	0	0	0	1
valproic acid	1	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent	2023	2023	1.0	low	0	0	0	1
doxazosin	1	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent	2023	2023	1.0	low	0	0	0	1
ebselen	1	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger	2023	2023	1.0	low	0	0	0	1
etidronate	1	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator	2023	2023	1.0	low	0	0	0	1
2-hexyloxybenzamide	1	aromatic ether; benzamides	antifungal agent	2023	2023	1.0	low	0	0	0	1
brl 42810	1	2-aminopurines; acetate ester	antiviral drug; prodrug	2023	2023	1.0	low	0	0	0	1
fluphenazine	1	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug	2023	2023	1.0	low	0	0	0	1
fluorouracil	1	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic	2023	2023	1.0	low	0	0	0	1
gabexate	1	benzoate ester		2023	2023	1.0	low	0	0	0	1
glutaral	1	dialdehyde	cross-linking reagent; disinfectant; fixative	2023	2023	1.0	low	0	0	0	1
fasudil	1	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent	2023	2023	1.0	low	0	0	0	1
haloperidol	1	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist	2023	2023	1.0	low	0	0	0	1
miltefosine	1	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor	2023	2023	1.0	low	0	0	0	1
hexylresorcinol	1	resorcinols		2023	2023	1.0	low	0	0	0	1
beta-thujaplicin	1	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite	2023	2023	1.0	low	0	0	0	1
hycanthone	1	thioxanthenes	mutagen; schistosomicide drug	2023	2023	1.0	low	0	0	0	1
hydrochlorothiazide	1	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	0	0	1
hydroxyurea	1	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent	2023	2023	1.0	low	0	0	0	1
ibuprofen	1	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic	2023	2023	1.0	low	0	0	0	1
indomethacin	1	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic	2023	2023	1.0	low	0	0	0	1
avapro	1	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	0	0	1
itraconazole	1	piperazines		2023	2023	1.0	low	0	0	0	1
kojic acid	1	4-pyranones; enol; primary alcohol	Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent	2023	2023	1.0	low	0	0	0	1
lapachol	1			2023	2023	1.0	low	0	0	0	1
loperamide	1	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist	2023	2023	1.0	low	0	0	0	1
loratadine	1	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist	2023	2023	1.0	low	0	0	0	1
losartan	1	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist	2023	2023	1.0	low	0	0	0	1
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide	1	benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	2023	2023	1.0	low	0	0	0	1
mafenide	1	aromatic amine		2023	2023	1.0	low	0	0	0	1
methazolamide	1	sulfonamide; thiadiazoles		2023	2023	1.0	low	0	0	0	1
methocarbamol	1	aromatic ether; carbamate ester; secondary alcohol		2023	2023	1.0	low	0	0	0	1
mitoxantrone	1	dihydroxyanthraquinone	analgesic; antineoplastic agent	2023	2023	1.0	low	0	0	0	1
entinostat	1	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	2023	2023	1.0	low	0	0	0	1
ethylmaleimide	1	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor	2023	2023	1.0	low	0	0	0	1
nabumetone	1	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	2023	2023	1.0	low	0	0	0	1
nafamostat	1	benzoic acids; guanidines		2023	2023	1.0	low	0	0	0	1
nevirapine	1	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	0	0	1
omeprazole	1	aromatic ether; benzimidazoles; pyridines; sulfoxide		2023	2023	1.0	low	0	0	0	1
osalmide	1	organic molecular entity		2023	2023	1.0	low	0	0	0	1
oxethazaine	1	amino acid amide		2023	2023	1.0	low	0	0	0	1
palmidrol	1	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent	2023	2023	1.0	low	0	0	0	1
papaverine	1	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent	2023	2023	1.0	low	0	0	0	1
pentoxifylline	1	oxopurine		2023	2023	1.0	low	0	0	0	1
perhexiline	1	piperidines	cardiovascular drug	2023	2023	1.0	low	0	0	0	1
phenazopyridine	1	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic	2023	2023	1.0	low	0	0	0	1
4-phenylbutyric acid	1	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug	2023	2023	1.0	low	0	0	0	1
phenylmethylsulfonyl fluoride	1	acyl fluoride	serine proteinase inhibitor	2023	2023	1.0	low	0	0	0	1
pimobendan	1	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent	2023	2023	1.0	low	0	0	0	1
pj-34	2	phenanthridines; secondary carboxamide; tertiary amino compound	angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent	2010	2023	7.5	medium	0	1	0	1
praziquantel	1	isoquinolines		2023	2023	1.0	low	0	0	0	1
probenecid	1	benzoic acids; sulfonamide	uricosuric drug	2023	2023	1.0	low	0	0	0	1
probucol	1	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug	2023	2023	1.0	low	0	0	0	1
promazine	1	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist	2023	2023	1.0	low	0	0	0	1
promethazine	1	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative	2023	2023	1.0	low	0	0	0	1
propranolol	1	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic	2023	2023	1.0	low	0	0	0	1
rimantadine	1	alkylamine		2023	2023	1.0	low	0	0	0	1
rolipram	1	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor	2023	2023	1.0	low	0	0	0	1
scriptaid	1	isoquinolines		2023	2023	1.0	low	0	0	0	1
sebacic acid	1	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite; plant metabolite	2023	2023	1.0	low	0	0	0	1
fenofibrate	1	benzochromenone; delta-lactone; naphtho-alpha-pyrone	platelet aggregation inhibitor; Sir2 inhibitor	2023	2023	1.0	low	0	0	0	1
imatinib	1	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor	2023	2023	1.0	low	0	0	0	1
suprofen	1	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug	2023	2023	1.0	low	0	0	0	1
thalidomide	1	phthalimides; piperidones		2023	2023	1.0	low	0	0	0	1
ticlopidine	1	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor	2023	2023	1.0	low	0	0	0	1
triamterene	1	pteridines	diuretic; sodium channel blocker	2023	2023	1.0	low	0	0	0	1
trifluoperazine	1	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	2023	2023	1.0	low	0	0	0	1
triflupromazine	1	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic	2023	2023	1.0	low	0	0	0	1
trigonelline	1	alkaloid; iminium betaine	food component; human urinary metabolite; plant metabolite	2023	2023	1.0	low	0	0	0	1
trimethobenzamide	1	benzamides; tertiary amino compound	antiemetic	2023	2023	1.0	low	0	0	0	1
trimethoprim	1	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	0	0	1
tyrphostin a9	1	alkylbenzene	geroprotector	2023	2023	1.0	low	0	0	0	1
delavirdine	1	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	0	0	1
vesnarinone	1	organic molecular entity		2023	2023	1.0	low	0	0	0	1
idoxuridine	1	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor	2023	2023	1.0	low	0	0	0	1
chloramphenicol	1	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor	2023	2023	1.0	low	0	0	0	1
lysine	1	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite	2023	2023	1.0	low	0	0	0	1
phenylethyl alcohol	1	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite	2023	2023	1.0	low	0	0	0	1
zoxazolamine	1	benzoxazole		2023	2023	1.0	low	0	0	0	1
cycloheximide	1	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor	2023	2023	1.0	low	0	0	0	1
ficusin	1	psoralens	plant metabolite	2023	2023	1.0	low	0	0	0	1
tubercidin	1	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite	2023	2023	1.0	low	0	0	0	1
trifluridine	1	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor	2023	2023	1.0	low	0	0	0	1
9,10-anthraquinone	1	anthraquinone		2023	2023	1.0	low	0	0	0	1
salicylanilide	1	benzanilide fungicide; salicylamides; salicylanilides		2023	2023	1.0	low	0	0	0	1
gramine	1	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist	2023	2023	1.0	low	0	0	0	1
aminacrine	1	aminoacridines; primary amino compound	acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen	2023	2023	1.0	low	0	0	0	1
methyl gallate	1	gallate ester	anti-inflammatory agent; antioxidant; plant metabolite	2023	2023	1.0	low	0	0	0	1
monobenzone	1	benzyl ether	allergen; dermatologic drug; melanin synthesis inhibitor	2023	2023	1.0	low	0	0	0	1
1-hydroxyphthalazine	1	phthalazines		2001	2001	23.0	medium	0	1	0	0
chlorthenoxazin	1	benzoxazine		2001	2001	23.0	medium	0	1	0	0
ditiocarb	1	dithiocarbamic acids	chelator; copper chelator	2023	2023	1.0	low	0	0	0	1
catechin	1	catechin	antioxidant; plant metabolite	2023	2023	1.0	low	0	0	0	1
azacitidine	1	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent	2023	2023	1.0	low	0	0	0	1
lucanthone	1	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	2023	2023	1.0	low	0	0	0	1
cepharanthine	1	bisbenzylisoquinoline alkaloid; isoquinolines		2023	2023	1.0	low	0	0	0	1
aloe emodin	1	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite	2023	2023	1.0	low	0	0	0	1
chrysophanic acid	1	dihydroxyanthraquinone	anti-inflammatory agent; antiviral agent; plant metabolite	2023	2023	1.0	low	0	0	0	1
emetine	1	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	2023	2023	1.0	low	0	0	0	1
osthol	1	botanical anti-fungal agent; coumarins	metabolite	2023	2023	1.0	low	0	0	0	1
flavanone	1	flavanones		2023	2023	1.0	low	0	0	0	1
isocarbostyril	3	isoquinolines		1998	2010	21.0	high	1	2	0	0
phloretic acid	1	hydroxy monocarboxylic acid	plant metabolite	2023	2023	1.0	low	0	0	0	1
oleanolic acid	1	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite	2023	2023	1.0	low	0	0	0	1
angelicin	1	furanocoumarin		2023	2023	1.0	low	0	0	0	1
diperodon	1	carbamate ester		2023	2023	1.0	low	0	0	0	1
megestrol acetate	1	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive	2023	2023	1.0	low	0	0	0	1
acetylcysteine	1	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary	2023	2023	1.0	low	0	0	0	1
hydroxychloroquine sulfate	1			2023	2023	1.0	low	0	0	0	1
ethambutol	1	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	0	0	1
metformin hydrochloride	1	hydrochloride	environmental contaminant; hypoglycemic agent; xenobiotic	2023	2023	1.0	low	0	0	0	1
antimycin a	1	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide	2023	2023	1.0	low	0	0	0	1
5,5'-dimethyl-2,2'-bipyridyl	1	bipyridines		2023	2023	1.0	medium	0	0	0	1
dichlorobenzyl alcohol	1	benzyl alcohols; dichlorobenzene	antiseptic drug	2023	2023	1.0	low	0	0	0	1
stavudine	1	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor	2023	2023	1.0	low	0	0	0	1
dideoxyadenosine	1	adenosines; purine 2',3'-dideoxyribonucleoside	EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor	2023	2023	1.0	low	0	0	0	1
vidarabine	1	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic	2023	2023	1.0	low	0	0	0	1
3-deazaadenosine	1			2023	2023	1.0	low	0	0	0	1
zalcitabine	1	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	0	0	1
ancitabine	1	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug	2023	2023	1.0	low	0	0	0	1
chloropyramine	1	aminopyridine		2023	2023	1.0	low	0	0	0	1
levamisole	1	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator	2023	2023	1.0	low	0	0	0	1
n'-nitrosonornicotine	1	pyridines; pyrrolidines		2023	2023	1.0	low	0	0	0	1
daunorubicin	1	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite	2023	2023	1.0	low	0	0	0	1
zidovudine	1	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	0	0	1
ribavirin	1	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor	2023	2023	1.0	low	0	0	0	1
pyridoxal phosphate	1	pyridinecarbaldehyde		2023	2023	1.0	medium	0	0	0	1
nitazoxanide	1	benzamides; carboxylic ester		2023	2023	1.0	low	0	0	0	1
captopril	1	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor	2023	2023	1.0	low	0	0	0	1
oltipraz	1	1,2-dithiole; pyrazines	angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug	2023	2023	1.0	low	0	0	0	1
fiacitabine	1			2023	2023	1.0	low	0	0	0	1
ranolazine	1	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol		2023	2023	1.0	low	0	0	0	1
brequinar	1	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor	2023	2023	1.0	low	0	0	0	1
imiquimod	1	imidazoquinoline	antineoplastic agent; interferon inducer	2023	2023	1.0	low	0	0	0	1
adefovir	1	6-aminopurines; ether; phosphonic acids	antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent	2023	2023	1.0	low	0	0	0	1
cidofovir anhydrous	1	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent	2023	2023	1.0	low	0	0	0	1
topotecan	1	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	2004	2004	20.0	low	0	1	0	0
celgosivir	1			2023	2023	1.0	low	0	0	0	1
gemcitabine	1	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	2023	2023	1.0	low	0	0	0	1
lamivudine	1	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	2023	2023	1.0	low	0	0	0	1
valsartan	1	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	0	0	1
zanamivir	1	guanidines	antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor	2023	2023	1.0	low	0	0	0	1
adefovir dipivoxil	1	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug	2023	2023	1.0	low	0	0	0	1
emtricitabine	1	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	0	0	1
octyl gallate	1	gallate ester	food antioxidant; hypoglycemic agent; plant metabolite	2023	2023	1.0	low	0	0	0	1
2,4(1h,3h)-quinazolinedione	1			2001	2001	23.0	low	0	1	0	0
efavirenz	1	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	0	0	1
nelfinavir	1	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor	2023	2023	1.0	low	0	0	0	1
betulinic acid	1	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite	2023	2023	1.0	low	0	0	0	1
arctigenin	1	lignan		2023	2023	1.0	low	0	0	0	1
baicalin	1	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	2023	2023	1.0	low	0	0	0	1
plerixafor	1	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant	2023	2023	1.0	low	0	0	0	1
amprenavir	1	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor	2023	2023	1.0	low	0	0	0	1
oseltamivir	1	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic	2023	2023	1.0	low	0	0	0	1
4-hydroxybenzamide	1			2001	2001	23.0	low	0	1	0	0
epigallocatechin gallate	1	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite	2023	2023	1.0	low	0	0	0	1
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose	1	gallate ester; galloyl beta-D-glucose	anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger	2023	2023	1.0	low	0	0	0	1
cephalotaxine	1	benzazepine alkaloid fundamental parent; benzazepine alkaloid; cyclic acetal; enol ether; organic heteropentacyclic compound; secondary alcohol; tertiary amino compound		2023	2023	1.0	medium	0	0	0	1
desipramine hydrochloride	1	hydrochloride	drug allergen	2023	2023	1.0	low	0	0	0	1
mefloquine hydrochloride	1	hydrochloride		2023	2023	1.0	low	0	0	0	1
aloxistatin	1	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor	2023	2023	1.0	low	0	0	0	1
propazole	1	benzimidazoles		2023	2023	1.0	low	0	0	0	1
prulifloxacin	1	fluoroquinolone antibiotic; quinolone antibiotic		2023	2023	1.0	low	0	0	0	1
telmisartan	1	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	0	0	1
bergenin	1	trihydroxybenzoic acid	metabolite	2023	2023	1.0	low	0	0	0	1
naphthalimides	1			2001	2001	23.0	low	0	1	0	0
zoledronic acid	1	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent	2023	2023	1.0	low	0	0	0	1
artemisinin	1	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite	2023	2023	1.0	low	0	0	0	1
brinzolamide	1	sulfonamide; thienothiazine	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor	2023	2023	1.0	low	0	0	0	1
dipropylacetamide	1	fatty amide	geroprotector; metabolite; teratogenic agent	2023	2023	1.0	low	0	0	0	1
oxprenolol hydrochloride	1			2023	2023	1.0	low	0	0	0	1
4-fluorobenzamide	1			2001	2001	23.0	low	0	1	0	0
opipramol hydrochloride	1			2023	2023	1.0	low	0	0	0	1
moroxydine	1	biguanides		2023	2023	1.0	low	0	0	0	1
thioxolone	1	benzoxathiole	antiseborrheic	2023	2023	1.0	low	0	0	0	1
honokiol	1	biphenyls		2023	2023	1.0	low	0	0	0	1
nobiletin	1	methoxyflavone	antineoplastic agent; plant metabolite	2023	2023	1.0	low	0	0	0	1
5-iodo-6-amino-1,2-benzopyrone	1			2014	2014	10.0	low	0	0	1	0
lycorine	1	indolizidine alkaloid	anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor	2023	2023	1.0	low	0	0	0	1
leupeptin	1	aldehyde; tripeptide	bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor	2023	2023	1.0	low	0	0	0	1
tetrandrine	1	bisbenzylisoquinoline alkaloid; isoquinolines		2023	2023	1.0	low	0	0	0	1
calpeptin	1	amino acid amide		2023	2023	1.0	low	0	0	0	1
fangchinoline	1	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite	2023	2023	1.0	low	0	0	0	1
maslinic acid	1	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite	2023	2023	1.0	low	0	0	0	1
atovaquone	1	hydroxy-1,2-naphthoquinone		2023	2023	1.0	low	0	0	0	1
4-aminobenzamide	1	benzamides		2001	2001	23.0	low	0	1	0	0
5-(3-methyl-1-triazeno)imidazole-4-carboxamide	1	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent	1998	1998	26.0	low	1	0	0	0
loganin	1	beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol	anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite	2023	2023	1.0	low	0	0	0	1
moexipril	1	peptide		2023	2023	1.0	low	0	0	0	1
aucubin	1	organic molecular entity	metabolite	2023	2023	1.0	low	0	0	0	1
catalpol	1	organic molecular entity	metabolite	2023	2023	1.0	low	0	0	0	1
lekoptin	1	2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile		2023	2023	1.0	low	0	0	0	1
3-methoxybenzamide	2			1998	2001	24.5	low	1	1	0	0
n-methyladenosine	1	methyladenosine		2023	2023	1.0	low	0	0	0	1
sivelestat	1	N-acylglycine; pivalate ester		2023	2023	1.0	low	0	0	0	1
pyronaridine	1	aminoquinoline		2023	2023	1.0	low	0	0	0	1
geniposide	1	terpene glycoside		2023	2023	1.0	low	0	0	0	1
daidzin	1	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite	2023	2023	1.0	low	0	0	0	1
sophocarpine	1			2023	2023	1.0	low	0	0	0	1
marimastat	1	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor	2023	2023	1.0	low	0	0	0	1
elacridar	1			2023	2023	1.0	low	0	0	0	1
celastrol	1	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite	2023	2023	1.0	low	0	0	0	1
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine	1	leucine derivative		2023	2023	1.0	low	0	0	0	1
vadimezan	1	monocarboxylic acid; xanthones	antineoplastic agent	2023	2023	1.0	low	0	0	0	1
e 64	1	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor	2023	2023	1.0	low	0	0	0	1
umifenovir	1	indolyl carboxylic acid		2023	2023	1.0	low	0	0	0	1
safinamide	1	amino acid amide		2023	2023	1.0	low	0	0	0	1
ilomastat	1	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent	2023	2023	1.0	low	0	0	0	1
3,4-dihydro-5-methyl-1(2h)-isoquinolinone	4	isoquinolines		1998	2019	18.5	high	1	2	1	0
atazanavir	1	carbohydrazide	antiviral drug; HIV protease inhibitor	2023	2023	1.0	low	0	0	0	1
vx 497	1			2023	2023	1.0	low	0	0	0	1
bcx 1812	1	3-hydroxy monocarboxylic acid; acetamides; cyclopentanols; guanidines	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor	2023	2023	1.0	low	0	0	0	1
naproxen	1	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	2023	2023	1.0	low	0	0	0	1
olmesartan	1	biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent	2023	2023	1.0	low	0	0	0	1
telbivudine	1	pyrimidine 2'-deoxyribonucleoside	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor	2023	2023	1.0	low	0	0	0	1
celastrol methyl ester	1	carboxylic ester		2023	2023	1.0	low	0	0	0	1
resiquimod	1	imidazoquinoline		2023	2023	1.0	low	0	0	0	1
tanshinone ii a	1	abietane diterpenoid		2023	2023	1.0	low	0	0	0	1
cyclo(alanylalanyl)	1			2019	2019	5.0	high	0	0	1	0
anacardic acid	1	hydroxy monocarboxylic acid; hydroxybenzoic acid	anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite	2023	2023	1.0	low	0	0	0	1
migalastat	1	piperidines		2023	2023	1.0	low	0	0	0	1
erlotinib	1	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor	2023	2023	1.0	low	0	0	0	1
limonin	1	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component	2023	2023	1.0	low	0	0	0	1
scutellarin	1	glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antineoplastic agent; proteasome inhibitor	2023	2023	1.0	low	0	0	0	1
etravirine	1	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	0	0	1
chelidonine	1	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid		2023	2023	1.0	low	0	0	0	1
4-n-butylresorcinol	1	resorcinols		2023	2023	1.0	low	0	0	0	1
darunavir	1	carbamate ester; furofuran; sulfonamide	antiviral drug; HIV protease inhibitor	2023	2023	1.0	low	0	0	0	1
dapivirine	1			2023	2023	1.0	low	0	0	0	1
nsc 74859	1	amidobenzoic acid; monohydroxybenzoic acid; tosylate ester	STAT3 inhibitor	2023	2023	1.0	low	0	0	0	1
berbamine	1	bisbenzylisoquinoline alkaloid; isoquinolines		2023	2023	1.0	low	0	0	0	1
u-104	1			2023	2023	1.0	low	0	0	0	1
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one	1	glycoside		2023	2023	1.0	medium	0	0	0	1
bortezomib	1	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor	2023	2023	1.0	low	0	0	0	1
ritonavir	1	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic	2023	2023	1.0	low	0	0	0	1
tizoxanide	1	salicylamides		2023	2023	1.0	low	0	0	0	1
arbutin	1	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite	2023	2023	1.0	low	0	0	0	1
quinidine	1	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker	2023	2023	1.0	low	0	0	0	1
conessine	1	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite	2023	2023	1.0	low	0	0	0	1
saquinavir	1	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor	2023	2023	1.0	low	0	0	0	1
abacavir	1	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	0	0	1
linezolid	1	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor	2023	2023	1.0	low	0	0	0	1
cephaelin	1	pyridoisoquinoline		2023	2023	1.0	low	0	0	0	1
(-)-usnic acid	1	usnic acid	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor	2023	2023	1.0	medium	0	0	0	1
acetylleucyl-leucyl-norleucinal	1	aldehyde; tripeptide	cysteine protease inhibitor	2023	2023	1.0	low	0	0	0	1
resveratrol	1	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger	2023	2023	1.0	low	0	0	0	1
tacrolimus	1	macrolide lactam	bacterial metabolite; immunosuppressive agent	2023	2023	1.0	low	0	0	0	1
lycopene	1	acyclic carotene	antioxidant; plant metabolite	2023	2023	1.0	low	0	0	0	1
zithromax	1	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	0	0	1
roflumilast	1	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor	2023	2023	1.0	low	0	0	0	1
L-cycloserine	1	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor	2023	2023	1.0	low	0	0	0	1
h 89	1	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide		2023	2023	1.0	low	0	0	0	1
bevirimat	1	dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid	HIV-1 maturation inhibitor; metabolite	2023	2023	1.0	low	0	0	0	1
benzyloxycarbonylleucyl-leucyl-leucine aldehyde	1	amino aldehyde; carbamate ester; tripeptide	proteasome inhibitor	2023	2023	1.0	low	0	0	0	1
tenofovir	1	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	0	0	1
posaconazole	1	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug	2023	2023	1.0	low	0	0	0	1
gw 257406x	1			2023	2023	1.0	low	0	0	0	1
shikonin	1	hydroxy-1,4-naphthoquinone		2023	2023	1.0	low	0	0	0	1
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide	1	tropane alkaloid		2023	2023	1.0	medium	0	0	0	1
cmx 001	1			2023	2023	1.0	low	0	0	0	1
amd 8664	1			2023	2023	1.0	medium	0	0	0	1
bay 41-4109	1			2023	2023	1.0	low	0	0	0	1
bay 57-1293	1			2023	2023	1.0	low	0	0	0	1
2'-c-methylcytidine	1			2023	2023	1.0	low	0	0	0	1
isoxanthohumol	1	flavanones		2023	2023	1.0	low	0	0	0	1
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide	1	aromatic ether		2023	2023	1.0	low	0	0	0	1
mecarbinate	1			2023	2023	1.0	low	0	0	0	1
acetyl-aspartyl-glutamyl-valyl-aspartal	1	tetrapeptide	protease inhibitor	2023	2023	1.0	low	0	0	0	1
octotropine methylbromide	1			2023	2023	1.0	low	0	0	0	1
mercaptopurine	1	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent	2023	2023	1.0	low	0	0	0	1
jrf 12	1			2023	2023	1.0	low	0	0	0	1
3,4'-dihydroxyflavone	1			2023	2023	1.0	medium	0	0	0	1
3-(3,4-dimethoxyphenyl)propenoic acid	1	methoxycinnamic acid		2023	2023	1.0	low	0	0	0	1
isoferulic acid	1	ferulic acids	antioxidant; biomarker; metabolite	2023	2023	1.0	low	0	0	0	1
cyclouridine	1			2023	2023	1.0	medium	0	0	0	1
curcumin	1	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger	2023	2023	1.0	low	0	0	0	1
zucapsaicin	1	methoxybenzenes; phenols		2023	2023	1.0	low	0	0	0	1
nbd 556	1			2023	2023	1.0	low	0	0	0	1
thioguanine anhydrous	1	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent	2023	2023	1.0	low	0	0	0	1
4,5,6,7-tetrachloroindan-1,3-dione	1			2023	2023	1.0	high	0	0	0	1
srpin340	1			2023	2023	1.0	low	0	0	0	1
pr-619	1			2023	2023	1.0	medium	0	0	0	1
p5091	1			2023	2023	1.0	low	0	0	0	1
trovirdine	1			2023	2023	1.0	low	0	0	0	1
fti 277	1			2023	2023	1.0	high	0	0	0	1
u 0126	1	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent	2023	2023	1.0	low	0	0	0	1
vicriviroc	1	(trifluoromethyl)benzenes		2023	2023	1.0	low	0	0	0	1
telaprevir	1	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic	2023	2023	1.0	low	0	0	0	1
orlistat	1	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor	2023	2023	1.0	low	0	0	0	1
dasatinib	1	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	2023	2023	1.0	low	0	0	0	1
yya-021	1			2023	2023	1.0	medium	0	0	0	1
sb 415286	1	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent	2023	2023	1.0	low	0	0	0	1
sitagliptin	1	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic	2023	2023	1.0	low	0	0	0	1
tak-220	1			2023	2023	1.0	medium	0	0	0	1
jtk-303	1	aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone	HIV-1 integrase inhibitor	2023	2023	1.0	low	0	0	0	1
nbd 557	1			2023	2023	1.0	medium	0	0	0	1
5'-o-caffeoylquinic acid	1	cinnamate ester; cyclitol carboxylic acid	plant metabolite	2023	2023	1.0	medium	0	0	0	1
luteolin-7-glucoside	1	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antioxidant; plant metabolite	2023	2023	1.0	low	0	0	0	1
cyclosporine	1			2023	2023	1.0	low	0	0	0	1
harmine	1	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite	2023	2023	1.0	low	0	0	0	1
eprosartan	1	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	0	0	1
mycophenolate mofetil	1	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug	2023	2023	1.0	low	0	0	0	1
entacapone	1	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor	2023	2023	1.0	low	0	0	0	1
amentoflavone	1	biflavonoid; hydroxyflavone; ring assembly	angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite	2023	2023	1.0	low	0	0	0	1
baicalein	1	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger	2023	2023	1.0	low	0	0	0	1
genkwanin	1	dihydroxyflavone; monomethoxyflavone	metabolite	2023	2023	1.0	low	0	0	0	1
hyperoside	1	beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	hepatoprotective agent; plant metabolite	2023	2023	1.0	low	0	0	0	1
mangostin	1	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite	2023	2023	1.0	low	0	0	0	1
3-methylquercetin	1	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite	2023	2023	1.0	low	0	0	0	1
kaempferide	1	7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone	antihypertensive agent; metabolite	2023	2023	1.0	low	0	0	0	1
orientin	1	3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone	antioxidant; metabolite	2023	2023	1.0	low	0	0	0	1
scutellarein	1	tetrahydroxyflavone	metabolite	2023	2023	1.0	low	0	0	0	1
trans-2,3',4,5'-tetrahydroxystilbene	1	stilbenoid		2023	2023	1.0	low	0	0	0	1
polydatin	1	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator	2023	2023	1.0	low	0	0	0	1
chicoric acid	1	organooxygen compound	geroprotector; HIV-1 integrase inhibitor	2023	2023	1.0	low	0	0	0	1
acteoside	1	catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol	anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite	2023	2023	1.0	low	0	0	0	1
dorzolamide	1	sulfonamide; thiophenes	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor	2023	2023	1.0	low	0	0	0	1
topiramate	1	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker	2023	2023	1.0	low	0	0	0	1
benzyloxycarbonyl-phe-ala-fluormethylketone	1			2023	2023	1.0	high	0	0	0	1
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester	1	carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester	EC 3.4.23.46 (memapsin 2) inhibitor	2023	2023	1.0	low	0	0	0	1
casticin	1	dihydroxyflavone; tetramethoxyflavone	apoptosis inducer; plant metabolite	2023	2023	1.0	low	0	0	0	1
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one	1	dihydroxyflavone; monomethoxyflavone	antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor	2023	2023	1.0	low	0	0	0	1
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside	1	beta-D-glucoside; resorcinols; stilbenoid	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; cyclooxygenase 2 inhibitor; platelet aggregation inhibitor	2023	2023	1.0	low	0	0	0	1
tyrphostin ag 555	1			2023	2023	1.0	low	0	0	0	1
pd 151746	1			2023	2023	1.0	medium	0	0	0	1
lisinopril	1	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor	2023	2023	1.0	low	0	0	0	1
verteporfin	1			2023	2023	1.0	low	0	0	0	1
batimastat	1	hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor	2023	2023	1.0	low	0	0	0	1
indinavir sulfate	1	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor	2023	2023	1.0	low	0	0	0	1
solanesol	1	nonaprenol; primary alcohol	plant metabolite	2023	2023	1.0	low	0	0	0	1
pepstatin	1	pentapeptide; secondary carboxamide	bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor	2023	2023	1.0	low	0	0	0	1
l 685458	1	carbamate ester; monocarboxylic acid amide; peptide; secondary alcohol	EC 3.4.23.46 (memapsin 2) inhibitor; peptidomimetic	2023	2023	1.0	low	0	0	0	1
bms 806	1			2023	2023	1.0	low	0	0	0	1
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone	1			2023	2023	1.0	medium	0	0	0	1
tulobuterol hydrochloride	1	organic molecular entity		2023	2023	1.0	low	0	0	0	1
salubrinal	1	aminal; organochlorine compound; quinolines; secondary carboxamide; thioureas		2023	2023	1.0	low	0	0	0	1
germacrone	1	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	2023	2023	1.0	low	0	0	0	1
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid	1			2023	2023	1.0	low	0	0	0	1
lithospermic acid	1			2023	2023	1.0	medium	0	0	0	1
laq824	1			2023	2023	1.0	low	0	0	0	1
ekb 569	1	aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile	protein kinase inhibitor	2023	2023	1.0	low	0	0	0	1
rilpivirine	1	aminopyrimidine; nitrile	EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	0	0	1
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one	1	germacranolide		2023	2023	1.0	medium	0	0	0	1
4,5-di-O-caffeoylquinic acid	1	quinic acid		2023	2023	1.0	low	0	0	0	1
indigo carmine	1			2023	2023	1.0	low	0	0	0	1
artesunate	1	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer	2023	2023	1.0	low	0	0	0	1
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone	1	oligopeptide		2023	2023	1.0	low	0	0	0	1
vildagliptin	1	amino acid amide		2023	2023	1.0	low	0	0	0	1
belinostat	1	hydroxamic acid; olefinic compound; sulfonamide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	2023	2023	1.0	low	0	0	0	1
hdac-42	1	amidobenzoic acid		2023	2023	1.0	low	0	0	0	1
chlorhexidine	1	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent	2023	2023	1.0	low	0	0	0	1
gs-7340	1	6-aminopurines; ether; isopropyl ester; L-alanine derivative; phosphoramidate ester	antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug	2023	2023	1.0	low	0	0	0	1
iniparib	3	carbonyl compound; organohalogen compound		2010	2023	8.3	low	0	1	1	1
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide	1			2023	2023	1.0	low	0	0	0	1
pri-2205	1			2023	2023	1.0	low	0	0	0	1
mk 0752	1			2023	2023	1.0	low	0	0	0	1
givinostat	1	carbamate ester		2023	2023	1.0	low	0	0	0	1
pd 144418	1			2023	2023	1.0	medium	0	0	0	1
bicyclol	1			2023	2023	1.0	low	0	0	0	1
midostaurin	1	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor	2023	2023	1.0	low	0	0	0	1
ag 14361	1	benzimidazoles		2010	2010	14.0	low	0	1	0	0
ly 450139	1	peptide		2023	2023	1.0	low	0	0	0	1
mocetinostat	1	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	2023	2023	1.0	low	0	0	0	1
rivaroxaban	1	aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor	2023	2023	1.0	low	0	0	0	1
sb 3ct compound	1	aromatic ether		2023	2023	1.0	low	0	0	0	1
ginsenoside rb1	1	ginsenoside; glycoside; tetracyclic triterpenoid	anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger	2023	2023	1.0	low	0	0	0	1
rucaparib	3	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2010	2023	6.7	low	0	1	1	1
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)-	1	organonitrogen heterocyclic compound; organosulfur heterocyclic compound		2023	2023	1.0	low	0	0	0	1
3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2h)-isoquinolinone	1			2001	2001	23.0	low	0	1	0	0
cetilistat	1	benzoxazine		2023	2023	1.0	low	0	0	0	1
ym 201636	1	aromatic amide		2023	2023	1.0	low	0	0	0	1
linagliptin	1	aminopiperidine; quinazolines	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent	2023	2023	1.0	low	0	0	0	1
azd 6244	1	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	2023	2023	1.0	low	0	0	0	1
odanacatib	1			2023	2023	1.0	low	0	0	0	1
apilimod	1			2023	2023	1.0	low	0	0	0	1
apixaban	1	aromatic ether; lactam; piperidones; pyrazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor	2023	2023	1.0	low	0	0	0	1
betrixaban	1	benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor	2023	2023	1.0	low	0	0	0	1
edoxaban	1	chloropyridine; monocarboxylic acid amide; tertiary amino compound; thiazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; platelet aggregation inhibitor	2023	2023	1.0	low	0	0	0	1
saracatinib	1	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent	2023	2023	1.0	low	0	0	0	1
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide	1	tripeptide; ureas	antiviral drug; hepatitis C protease inhibitor; peptidomimetic	2023	2023	1.0	low	0	0	0	1
ly 411575	1	dibenzoazepine; difluorobenzene; lactam; secondary alcohol	EC 3.4.23.46 (memapsin 2) inhibitor	2023	2023	1.0	low	0	0	0	1
galidesivir	1			2023	2023	1.0	low	0	0	0	1
PB28	1	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist	2023	2023	1.0	low	0	0	0	1
degrasyn	1			2023	2023	1.0	low	0	0	0	1
epoxomicin	1	morpholines; tripeptide	proteasome inhibitor	2023	2023	1.0	low	0	0	0	1
bms 477118	1	adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent	2023	2023	1.0	low	0	0	0	1
pha 680632	1			2023	2023	1.0	low	0	0	0	1
tmc 353121	1			2023	2023	1.0	medium	0	0	0	1
amd 070	1	aminoquinoline		2023	2023	1.0	low	0	0	0	1
danoprevir	1			2023	2023	1.0	low	0	0	0	1
bms-626529	1			2023	2023	1.0	low	0	0	0	1
bms-663068	1			2023	2023	1.0	low	0	0	0	1
amenamevir	1			2023	2023	1.0	low	0	0	0	1
vx 765	1	dipeptide		2023	2023	1.0	low	0	0	0	1
Dihydrotanshinone I	1	abietane diterpenoid	anticoronaviral agent	2023	2023	1.0	low	0	0	0	1
alogliptin	1	nitrile; piperidines; primary amino compound; pyrimidines	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent	2023	2023	1.0	low	0	0	0	1
fr 180204	1	pyrazoles; ring assembly		2023	2023	1.0	low	0	0	0	1
quisinostat	1	indoles		2023	2023	1.0	low	0	0	0	1
carfilzomib	1	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor	2023	2023	1.0	low	0	0	0	1
hcv 796	1			2023	2023	1.0	low	0	0	0	1
resminostat	1			2023	2023	1.0	low	0	0	0	1
zk 756326	1	aromatic ether		2023	2023	1.0	medium	0	0	0	1
balapiravir	1			2023	2023	1.0	low	0	0	0	1
trametinib	1	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	2023	2023	1.0	low	0	0	0	1
deoxyarbutin	1			2023	2023	1.0	low	0	0	0	1
abexinostat	1	benzofurans		2023	2023	1.0	low	0	0	0	1
silvestrol	1	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite	2023	2023	1.0	low	0	0	0	1
narlaprevir	1	azabicyclohexane; cyclopropanes; pyrrolidinecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide; ureas	anticoronaviral agent; antiviral drug; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; hepatitis C protease inhibitor	2023	2023	1.0	low	0	0	0	1
teneligliptin	1	amino acid amide		2023	2023	1.0	medium	0	0	0	1
dextrothyroxine	1			2023	2023	1.0	low	0	0	0	1
veliparib	1	benzimidazoles	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2023	2023	1.0	low	0	0	0	1
pf 03491390	1			2023	2023	1.0	low	0	0	0	1
alloin	1	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite	2023	2023	1.0	high	0	0	0	1
mdv 3100	1	(trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound	androgen antagonist; antineoplastic agent	2023	2023	1.0	low	0	0	0	1
bms-650032	1	oligopeptide		2023	2023	1.0	low	0	0	0	1
rg 7128	1			2023	2023	1.0	low	0	0	0	1
oritavancin	1	disaccharide derivative; glycopeptide; semisynthetic derivative	antibacterial drug; antimicrobial agent	2023	2023	1.0	low	0	0	0	1
pevonedistat	1	cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate	antineoplastic agent; apoptosis inducer	2023	2023	1.0	low	0	0	0	1
uk 453,061	1	aromatic ether		2023	2023	1.0	low	0	0	0	1
N-(2-aminophenyl)-2-pyrazinecarboxamide	1	aromatic amide		2023	2023	1.0	high	0	0	0	1
tegobuvir	1			2023	2023	1.0	low	0	0	0	1
pf-429242	1			2023	2023	1.0	low	0	0	0	1
olaparib	1	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2023	2023	1.0	low	0	0	0	1
cx 4945	1			2023	2023	1.0	low	0	0	0	1
pci 34051	1	indolecarboxamide		2023	2023	1.0	low	0	0	0	1
lomibuvir	1	thiophenecarboxylic acid		2023	2023	1.0	low	0	0	0	1
delanzomib	1	C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative	antineoplastic agent; apoptosis inducer; proteasome inhibitor	2023	2023	1.0	low	0	0	0	1
pitavastatin(1-)	1	hydroxy monocarboxylic acid anion		2023	2023	1.0	high	0	0	0	1
GRL-0617	1	benzamides; naphthalenes; secondary carboxamide; substituted aniline	anticoronaviral agent; protease inhibitor	2023	2023	1.0	low	0	0	0	1
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester	1	carbamate ester		2023	2023	1.0	low	0	0	0	1
niraparib	2	2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent	2019	2023	3.0	low	0	0	1	1
jzl 184	1	benzodioxoles		2023	2023	1.0	low	0	0	0	1
gsk 650394	1	phenylpyridine		2023	2023	1.0	low	0	0	0	1
oprozomib	1			2023	2023	1.0	low	0	0	0	1
az 960	1			2023	2023	1.0	low	0	0	0	1
golgicide a	1	diastereoisomeric mixture	cis-Golgi ArfGEF GBF inhibitor	2023	2023	1.0	low	0	0	0	1
cobicistat	1	1,3-thiazoles; carbamate ester; monocarboxylic acid amide; morpholines; ureas	P450 inhibitor	2023	2023	1.0	low	0	0	0	1
bms-790052	1	biphenyls; carbamate ester; carboxamide; imidazoles; valine derivative	antiviral drug; nonstructural protein 5A inhibitor	2023	2023	1.0	low	0	0	0	1
ixazomib	1	benzamides; boronic acids; dichlorobenzene; glycine derivative	antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor	2023	2023	1.0	low	0	0	0	1
ucph 101	1			2023	2023	1.0	low	0	0	0	1
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine	1	aryl sulfide; thienopyrimidine		2023	2023	1.0	low	0	0	0	1
baricitinib	1	azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide	anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent	2023	2023	1.0	low	0	0	0	1
KOM70144	1	acetamides; benzamides; naphthalenes; secondary carboxamide	anticoronaviral agent; protease inhibitor	2023	2023	1.0	high	0	0	0	1
e-52862	1			2023	2023	1.0	low	0	0	0	1
ly2811376	1			2023	2023	1.0	low	0	0	0	1
iwr-1 endo	1	benzamides; bridged compound; dicarboximide; quinolines	axin stabilizer; Wnt signalling inhibitor	2014	2014	10.0	low	0	0	1	0
anagliptin	1	amino acid amide		2023	2023	1.0	low	0	0	0	1
gardiquimod	1			2023	2023	1.0	low	0	0	0	1
grazoprevir	1	aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative	antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent	2023	2023	1.0	low	0	0	0	1
abt-450	1			2023	2023	1.0	low	0	0	0	1
letermovir	1			2023	2023	1.0	low	0	0	0	1
sofosbuvir	1	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug	2023	2023	1.0	low	0	0	0	1
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine	1	benzoxazole		2023	2023	1.0	low	0	0	0	1
blz 945	1			2023	2023	1.0	medium	0	0	0	1
azd3839	1			2023	2023	1.0	medium	0	0	0	1
pf 3084014	1			2023	2023	1.0	low	0	0	0	1
unc 0638	1	quinazolines		2023	2023	1.0	low	0	0	0	1
gs-9620	1			2023	2023	1.0	low	0	0	0	1
n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide	1			2023	2023	1.0	low	0	0	0	1
bms 708163	1	oxadiazole; ring assembly		2023	2023	1.0	low	0	0	0	1
jq1 compound	1	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer	2023	2023	1.0	low	0	0	0	1
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone	1			2023	2023	1.0	low	0	0	0	1
gsk525762a	1	benzodiazepine		2023	2023	1.0	low	0	0	0	1
ML240	1	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent	2023	2023	1.0	low	0	0	0	1
birinapant	1	dipeptide		2023	2023	1.0	low	0	0	0	1
ly2886721	1			2023	2023	1.0	medium	0	0	0	1
nms-p118	1			2023	2023	1.0	medium	0	0	0	1
tubastatin a	1	hydroxamic acid; pyridoindole; tertiary amino compound	EC 3.5.1.98 (histone deacetylase) inhibitor	2023	2023	1.0	low	0	0	0	1
pracinostat	1	benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound	antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	2023	2023	1.0	low	0	0	0	1
spautin-1	1			2023	2023	1.0	low	0	0	0	1
ldn 57444	1			2023	2023	1.0	low	0	0	0	1
gsk1210151a	1	imidazoquinoline		2023	2023	1.0	low	0	0	0	1
i-bet726	1			2023	2023	1.0	low	0	0	0	1
acy-1215	1	pyrimidinecarboxylic acid		2023	2023	1.0	low	0	0	0	1
cudc-907	1			2023	2023	1.0	low	0	0	0	1
mobic	1	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug	2023	2023	1.0	low	0	0	0	1
tipranavir	1	sulfonamide	antiviral drug; HIV protease inhibitor	2023	2023	1.0	low	0	0	0	1
tasquinimod	1			2023	2023	1.0	low	0	0	0	1
gsk1265744	1	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor	2023	2023	1.0	low	0	0	0	1
abt-267	1	aromatic amide; carbamate ester; dipeptide; pyrrolidines	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor	2023	2023	1.0	low	0	0	0	1
abt-333	1	aromatic ether; naphthalenes; pyrimidone; sulfonamide	antiviral drug; nonnucleoside hepatitis C virus polymerase inhibitor	2023	2023	1.0	low	0	0	0	1
rgfp966	1			2023	2023	1.0	low	0	0	0	1
rg2833	1			2023	2023	1.0	medium	0	0	0	1
pi-1840	1			2023	2023	1.0	medium	0	0	0	1
acy-738	1			2023	2023	1.0	medium	0	0	0	1
pelabresib	1	monochlorobenzenes; organic heterotricyclic compound; primary carboxamide	antineoplastic agent; bromodomain-containing protein 4 inhibitor	2023	2023	1.0	low	0	0	0	1
gs-5806	1			2023	2023	1.0	low	0	0	0	1
doravirine	1			2023	2023	1.0	low	0	0	0	1
gn6958	1			2023	2023	1.0	high	0	0	0	1
vx-787	1			2023	2023	1.0	low	0	0	0	1
ledipasvir	1	azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound	antiviral drug; hepatitis C protease inhibitor	2023	2023	1.0	low	0	0	0	1
gs-5816	1	carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor	2023	2023	1.0	low	0	0	0	1
g007-lk	1			2023	2023	1.0	low	0	0	0	1
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide	1			2023	2023	1.0	low	0	0	0	1
selinexor	1			2023	2023	1.0	low	0	0	0	1
verdinexor	1			2023	2023	1.0	low	0	0	0	1
cb-839	1			2023	2023	1.0	low	0	0	0	1
mk-8742	1	carbamate ester; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heterotetracyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor; hepatoprotective agent	2023	2023	1.0	low	0	0	0	1
atglistatin	1			2023	2023	1.0	low	0	0	0	1
xen445	1			2023	2023	1.0	high	0	0	0	1
santacruzamate a	1	organonitrogen compound; organooxygen compound		2023	2023	1.0	medium	0	0	0	1
ldc4297	1	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2023	2023	1.0	medium	0	0	0	1
enasidenib	1	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	2023	2023	1.0	low	0	0	0	1
s 8932	1	aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine	anticoronaviral agent; antiviral drug; prodrug	2023	2023	1.0	low	0	0	0	1
entecavir	1	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor	2023	2023	1.0	low	0	0	0	1
acyclovir	1	2-aminopurines; oxopurine	antimetabolite; antiviral drug	2023	2023	1.0	low	0	0	0	1
inosine	1	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	2010	2010	14.0	low	0	1	0	0
didanosine	1	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	0	0	1
ganciclovir	1	2-aminopurines; oxopurine	antiinfective agent; antiviral drug	2023	2023	1.0	low	0	0	0	1
valacyclovir	1	L-valyl ester	antiviral drug	2023	2023	1.0	low	0	0	0	1
penciclovir	1	2-aminopurines; propane-1,3-diols	antiviral drug	2023	2023	1.0	low	0	0	0	1
2-methyl-4(3h)-quinazolinone	1			2001	2001	23.0	low	0	1	0	0
4-hydroxyquinazoline	4	quinazolines		2001	2023	12.0	low	0	2	1	1
tegaserod	1	carboxamidine; guanidines; hydrazines; indoles	gastrointestinal drug; serotonergic agonist	2023	2023	1.0	low	0	0	0	1
norclozapine	1	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist	2023	2023	1.0	low	0	0	0	1
pemetrexed	1	N-acyl-L-glutamic acid; pyrrolopyrimidine	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor	2023	2023	1.0	low	0	0	0	1
aprepitant	1	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist	2023	2023	1.0	low	0	0	0	1
azilsartan	1	1,2,4-oxadiazole; aromatic ether; benzimidazolecarboxylic acid	angiotensin receptor antagonist; antihypertensive agent	2023	2023	1.0	low	0	0	0	1
xav939	1	(trifluoromethyl)benzenes; thiopyranopyrimidine	tankyrase inhibitor	2017	2017	7.0	low	0	0	1	0
hesperadin	1			2023	2023	1.0	low	0	0	0	1
6-bromoindirubin-3'-acetoxime	1			2023	2023	1.0	high	0	0	0	1
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide	1	catechols; hydrazide; hydrazone; naphthols	EC 3.6.5.5 (dynamin GTPase) inhibitor	2023	2023	1.0	medium	0	0	0	1
XL413	1	benzofuropyrimidine; organochlorine compound; pyrrolidines	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	2023	2023	1.0	medium	0	0	0	1
bmn 673	1			2019	2019	5.0	low	0	0	1	0
me0328	1			2023	2023	1.0	medium	0	0	0	1
nvp-tnks656	1			2023	2023	1.0	medium	0	0	0	1

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	1990's	2000's	2010's
1,5-dihydroxyisoquinoline	2	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2009	2012	13.5	low	0	1	1
3-aminobenzamide	3	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2004	2005	19.3	low	0	3	0
benzamide	1	benzamides		2017	2017	7.0	low	0	0	1
molsidomine	1	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent	2006	2006	18.0	low	0	1	0
o(6)-benzylguanine	1			2006	2006	18.0	low	0	1	0
linsidomine	1	morpholines		2006	2006	18.0	low	0	1	0
temozolomide	5	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug	1999	2020	17.8	low	2	2	1
quinazolines	28	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines		1998	2020	15.4	low	4	13	11
acridines	1	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin	2010	2010	14.0	low	0	1	0
camptothecin	1	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite	2001	2001	23.0	low	0	1	0
etoposide	1	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor	2001	2001	23.0	low	0	1	0
topotecan	3	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	2000	2014	17.0	low	1	1	1
triazoles	1	1,2,3-triazole		2010	2010	14.0	low	0	1	0
mitozolomide	1			2010	2010	14.0	low	0	1	0
5-iodo-6-amino-1,2-benzopyrone	2			2009	2012	13.5	medium	0	1	1
5-(3-methyl-1-triazeno)imidazole-4-carboxamide	2	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent	1998	1998	26.0	low	2	0	0
wortmannin	1	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent	1999	1999	25.0	low	1	0	0
ku 55933	1			2006	2006	18.0	low	0	1	0
sirolimus	1	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor	2014	2014	10.0	low	0	0	1
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin	2	1,4-benzoquinones; ansamycin; carbamate ester; secondary amino compound; tertiary amino compound	Hsp90 inhibitor	2011	2011	13.0	low	0	0	2
iniparib	2	carbonyl compound; organohalogen compound		2014	2015	9.5	low	0	0	2
rucaparib	2	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2015	2017	8.0	low	0	0	2
3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2h)-isoquinolinone	1			2014	2014	10.0	low	0	0	1
veliparib	1	benzimidazoles	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2014	2014	10.0	low	0	0	1
nad	1	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite	2006	2006	18.0	low	0	1	0
olaparib	6	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2011	2017	10.3	low	0	0	6
piperidines	2			2014	2015	9.5	low	0	0	2
warfarin	2	benzenes; hydroxycoumarin; methyl ketone		2009	2012	13.5	low	0	1	1
guanine	1	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	2006	2006	18.0	low	0	1	0
dacarbazine	6	dacarbazine		1998	2010	22.8	low	4	2	0
pyrimidinones	1			2014	2014	10.0	low	0	0	1
phenanthrenes	2			2004	2005	19.5	low	0	2	0

Condition	Studies	First Year	Last Year	Average Age	Relationship Strength	1990's	2000's	2010's
Adenocarcinoma	1	2005	2005	19.0	low	0	1	0
Adenocarcinoma, Basal Cell	1	2005	2005	19.0	low	0	1	0
Astrocytoma, Grade IV	4	2007	2020	11.2	low	0	2	2
Benign Neoplasms	2	2005	2006	18.5	low	0	2	0
Benign Neoplasms, Brain	2	2007	2020	10.5	low	0	1	1
Brain Ischemia	1	2006	2006	18.0	low	0	1	0
Brain Neoplasms	2	2007	2020	10.5	low	0	1	1
Breast Cancer	2	2000	2015	16.5	low	1	0	1
Breast Neoplasms	2	2000	2015	16.5	low	1	0	1
Cancer of Colon	1	2000	2000	24.0	low	1	0	0
Cancer of Lung	2	2000	2014	17.0	low	1	0	1
Cancer of Ovary	1	2000	2000	24.0	low	1	0	0
Cancer of Pancreas	1	2005	2005	19.0	low	0	1	0
Cancer of Stomach	1	2020	2020	4.0	low	0	0	1
Central Nervous System Neoplasm	1	2002	2002	22.0	low	0	1	0
Central Nervous System Neoplasms	1	2002	2002	22.0	low	0	1	0
Cerebral Ischemia	1	2006	2006	18.0	low	0	1	0
Colonic Neoplasms	1	2000	2000	24.0	low	1	0	0
Congenital Zika Syndrome	1	2020	2020	4.0	low	0	0	1
Disease Models, Animal	2	2006	2020	11.0	low	0	1	1
Experimental Neoplasms	3	2008	2011	14.0	low	0	1	2
Glial Cell Tumors	1	2010	2010	14.0	low	0	1	0
Glioblastoma	4	2007	2020	11.2	low	0	2	2
Glioma	1	2010	2010	14.0	low	0	1	0
Hematologic Malignancies	1	2002	2002	22.0	low	0	1	0
Hematologic Neoplasms	1	2002	2002	22.0	low	0	1	0
Injury, Ischemia-Reperfusion	1	2006	2006	18.0	low	0	1	0
Ischemia	1	2010	2010	14.0	low	0	1	0
Leukemia L 1210	3	1998	2001	25.0	low	2	1	0
Lung Neoplasms	2	2000	2014	17.0	low	1	0	1
Lymphangioleiomyomatosis	1	2014	2014	10.0	low	0	0	1
Lymphangiomyomatosis	1	2014	2014	10.0	low	0	0	1
Neoplasms	2	2005	2006	18.5	low	0	2	0
Ovarian Neoplasms	1	2000	2000	24.0	low	1	0	0
Pancreatic Neoplasms	1	2005	2005	19.0	low	0	1	0
Polyploid	1	2010	2010	14.0	low	0	1	0
Reperfusion Injury	1	2006	2006	18.0	low	0	1	0
Stomach Neoplasms	1	2020	2020	4.0	low	0	0	1
Zika Virus Infection	1	2020	2020	4.0	low	0	0	1

Safety/Toxicity (4)

Article	Year
Increased cytotoxicity of an unusual DNA topoisomerase II inhibitor compound C-1305 toward HeLa cells with downregulated PARP-1 activity results from re-activation of the p53 pathway and modulation of mitotic checkpoints. Biochemical pharmacology, , May-15, Volume: 79, Issue:10	2010
Differential effects of the poly (ADP-ribose) polymerase (PARP) inhibitor NU1025 on topoisomerase I and II inhibitor cytotoxicity in L1210 cells in vitro. British journal of cancer, , Jan-05, Volume: 84, Issue:1	2001
Potentiation of temozolomide and topotecan growth inhibition and cytotoxicity by novel poly(adenosine diphosphoribose) polymerase inhibitors in a panel of human tumor cell lines. Clinical cancer research : an official journal of the American Association for Cancer Research, , Volume: 6, Issue:7	2000
Potentiation of anti-cancer agent cytotoxicity by the potent poly(ADP-ribose) polymerase inhibitors NU1025 and NU1064. British journal of cancer, , Volume: 78, Issue:10	1998

Bioavailability (1)

Article	Year
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, , Volume: 96, Issue:5	2019

Interactions (1)

Article	Year
Effect of p53 activity on the sensitivity of human glioblastoma cells to PARP-1 inhibitor in combination with topoisomerase I inhibitor or radiation. Cytometry. Part A : the journal of the International Society for Analytical Cytology, , Volume: 85, Issue:11	2014