isoxanthopterin

Description

2-aminopteridine-4,7-diol : no description available [CHeBI]

Cross-References

ID Source	ID
PubMed CID	135398700
CHEMBL ID	464251
SCHEMBL ID	1331103
SCHEMBL ID	9148336
CHEBI ID	16713
MeSH ID	M0051880

Synonyms (76)

Synonym
2-amino-pteridine-4,7-diol
nsc-614991
nsc614991
2-aminopteridine-4,7-diol
CHEBI:16713 ,
DIVK1C_006404
KBIO1_001348
EU-0100712
isoxanthopterin, >=97.5%, powder
SPECTRUM_000248
4,7(3h,8h)-pteridinedione, 2-amino-
2-amino-4,7(3h,8h)-pteridinedione
nsc 118090
2-amino-4,7(1h,8h)-pteridinedione
4,7(1h,8h)-pteridinedione, 2-amino-
einecs 208-469-5
lopac-i-7388
NCGC00015564-01
529-69-1
2-amino-4,7-dihydroxypteridine
4,8h)-pteridinedione, 2-amino-
isoxanthopterin ,
nsc118090 ,
nsc-118090
ranachrome 4
C03975
KBIO2_003296
NCI60_000432
KBIOSS_000728
KBIOGR_001764
KBIO2_000728
KBIO2_005864
SPECTRUM4_001242
SPECPLUS_000308
LOPAC0_000712
NCGC00094062-02
NCGC00094062-01
NCGC00015564-02
I 7388
NCGC00015564-04
2-amino-1,8-dihydropteridine-4,7-dione
CHEMBL464251
HMS3262O05
SCHEMBL1331103
AKOS024327289
A829331
CCG-40096
NCGC00015564-03
xr11pf6tyr ,
unii-xr11pf6tyr
FT-0632314
LP00712
2-amino-3,8-dihydropteridine-4,7-dione
tox21_500712
NCGC00261397-01
2-aminopteridine-4,7(1h,8h)-dione
7-hydroxypterin
2-amino-4,7(1h,8h)-pteridinedione #
GLKCOBIIZKYKFN-UHFFFAOYSA-N
W-202999
SCHEMBL9148336
2-amino-1,4,7,8-tetrahydropteridine-4,7-dione
DTXSID20200949
AKOS027320489
isoxanthopterin, >=97.5% (hplc)
isoxanthopterin, 97%
SR-01000075227-1
sr-01000075227
2-amino-3h,8h-pteridine-4,7-dione
E73764
Q27102039
2-aminopteridine-4,7(3h,8h)-dione
SDCCGSBI-0050690.P003
NCGC00015564-06
7pd ,
2-amino-4,7-dihyroxy-1,3,5,8-tetraazanaphthalene

Drug Classes (1)

Class	Description
dihydroxypteridine

Protein Targets (13)

Potency Measurements

Protein	Taxonomy	Measurement	Average (mM)	Bioassay(s)
Chain A, HADH2 protein	Homo sapiens (human)	Potency	13.5571	AID886; AID893
Chain B, HADH2 protein	Homo sapiens (human)	Potency	13.5571	AID886; AID893
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	14.1254	AID2147
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	10.0000	AID2323
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	9.8925	AID488772; AID488773; AID588453; AID588456
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	3.9811	AID1030
alpha-galactosidase	Homo sapiens (human)	Potency	25.1189	AID2107
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	18.2406	AID504332
peripheral myelin protein 22 isoform 1	Homo sapiens (human)	Potency	84.9214	AID1967
chromobox protein homolog 1	Homo sapiens (human)	Potency	0.0095	AID488953
potassium voltage-gated channel subfamily H member 2 isoform d	Homo sapiens (human)	Potency	17.7828	AID588834
lamin isoform A-delta10	Homo sapiens (human)	Potency	0.0045	AID1487
ATP-dependent phosphofructokinase	Trypanosoma brucei brucei TREU927	Potency	0.7569	AID485368

Bioassays (31)

Assay ID	Title	Year	Journal	Article
AID588378	qHTS for Inhibitors of ATXN expression: Validation	2022	The Journal of biological chemistry, 08, Volume: 298, Issue:8 ISSN: 1083-351X
AID1347058	CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7 ISSN: 1932-6203	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7 ISSN: 1945-7170	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
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.
AID1347410	qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library	2019	Cellular signalling, 08, Volume: 60ISSN: 1873-3913	A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID1347045	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line	2019	Science translational medicine, 07-10, Volume: 11, Issue:500 ISSN: 1946-6242	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID588349	qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay	2022	The Journal of biological chemistry, 08, Volume: 298, Issue:8 ISSN: 1083-351X
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173ISSN: 1872-9096	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347049	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen	2019	Science translational medicine, 07-10, Volume: 11, Issue:500 ISSN: 1946-6242	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347059	CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7 ISSN: 1932-6203	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID504836	Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation	2002	The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16 ISSN: 0021-9258	Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173ISSN: 1872-9096	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347057	CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7 ISSN: 1932-6203	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173ISSN: 1872-9096	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7 ISSN: 1945-7170	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347050	Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay	2019	Science translational medicine, 07-10, Volume: 11, Issue:500 ISSN: 1946-6242	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347151	Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347405	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7 ISSN: 1554-8937	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID412406	Binding affinity to target base G of 5'-TCC AGX GCA AC-3'/3'_AGG TCG CGT TG-5' 11 mer duplex DNA containing abasic site assessed as melting temperature at 150 uM by spectrophotometric analysis relative to control	2009	Bioorganic & medicinal chemistry, Jan-01, Volume: 17, Issue:1 ISSN: 1464-3391	Effect of methyl substitution in a ligand on the selectivity and binding affinity for a nucleobase: a case study with isoxanthopterin and its derivatives.
AID412408	Binding affinity to target base A of 5'-TCC AGX GCA AC-3'/3'_AGG TCA CGT TG-5' 11 mer duplex DNA containing abasic site assessed as melting temperature at 150 uM by spectrophotometric analysis	2009	Bioorganic & medicinal chemistry, Jan-01, Volume: 17, Issue:1 ISSN: 1464-3391	Effect of methyl substitution in a ligand on the selectivity and binding affinity for a nucleobase: a case study with isoxanthopterin and its derivatives.
AID412405	Binding affinity to target base C of 5'-TCC AGX GCA AC-3'/3'_AGG TCC CGT TG-5' 11 mer duplex DNA containing abasic site assessed as melting temperature at 150 uM by spectrophotometric analysis relative to control	2009	Bioorganic & medicinal chemistry, Jan-01, Volume: 17, Issue:1 ISSN: 1464-3391	Effect of methyl substitution in a ligand on the selectivity and binding affinity for a nucleobase: a case study with isoxanthopterin and its derivatives.
AID412407	Binding affinity to target base T of 5'-TCC AGX GCA AC-3'/3'_AGG TCT CGT TG-5' 11 mer duplex DNA containing abasic site assessed as melting temperature at 150 uM by spectrophotometric analysis	2009	Bioorganic & medicinal chemistry, Jan-01, Volume: 17, Issue:1 ISSN: 1464-3391	Effect of methyl substitution in a ligand on the selectivity and binding affinity for a nucleobase: a case study with isoxanthopterin and its derivatives.
AID412410	Binding affinity to target base G of 5'-TCC AGX GCA AC-3'/3'_AGG TCG CGT TG-5' 11 mer duplex DNA containing abasic site assessed as melting temperature at 150 uM by spectrophotometric analysis	2009	Bioorganic & medicinal chemistry, Jan-01, Volume: 17, Issue:1 ISSN: 1464-3391	Effect of methyl substitution in a ligand on the selectivity and binding affinity for a nucleobase: a case study with isoxanthopterin and its derivatives.
AID412401	Binding affinity to target base C of 5'-TCC AGX GCA AC-3'/3'_AGG TCC CGT TG-5' 11 mer duplex DNA containing abasic site at 10 uM by fluorescence quenching measurement	2009	Bioorganic & medicinal chemistry, Jan-01, Volume: 17, Issue:1 ISSN: 1464-3391	Effect of methyl substitution in a ligand on the selectivity and binding affinity for a nucleobase: a case study with isoxanthopterin and its derivatives.
AID412404	Binding affinity to target base A of 5'-TCC AGX GCA AC-3'/3'_AGG TCA CGT TG-5' 11 mer duplex DNA containing abasic site assessed as melting temperature at 150 uM by spectrophotometric analysis relative to control	2009	Bioorganic & medicinal chemistry, Jan-01, Volume: 17, Issue:1 ISSN: 1464-3391	Effect of methyl substitution in a ligand on the selectivity and binding affinity for a nucleobase: a case study with isoxanthopterin and its derivatives.
AID412409	Binding affinity to target base C of 5'-TCC AGX GCA AC-3'/3'_AGG TCC CGT TG-5' 11 mer duplex DNA containing abasic site assessed as melting temperature at 150 uM by spectrophotometric analysis	2009	Bioorganic & medicinal chemistry, Jan-01, Volume: 17, Issue:1 ISSN: 1464-3391	Effect of methyl substitution in a ligand on the selectivity and binding affinity for a nucleobase: a case study with isoxanthopterin and its derivatives.
AID412403	Binding affinity to target base T of 5'-TCC AGX GCA AC-3'/3'_AGG TCT CGT TG-5' 11 mer duplex DNA containing abasic site assessed as melting temperature at 150 uM by spectrophotometric analysis relative to control	2009	Bioorganic & medicinal chemistry, Jan-01, Volume: 17, Issue:1 ISSN: 1464-3391	Effect of methyl substitution in a ligand on the selectivity and binding affinity for a nucleobase: a case study with isoxanthopterin and its derivatives.
AID412402	Binding affinity to target base T of 5'-TCC AGX GCA AC-3'/3'_AGG TCT CGT TG-5' 11 mer duplex DNA containing abasic site at 10 uM by fluorescence quenching measurement	2009	Bioorganic & medicinal chemistry, Jan-01, Volume: 17, Issue:1 ISSN: 1464-3391	Effect of methyl substitution in a ligand on the selectivity and binding affinity for a nucleobase: a case study with isoxanthopterin and its derivatives.
AID521220	Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5 ISSN: 1552-4450	Chemical genetics reveals a complex functional ground state of neural stem cells.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6 ISSN: 1552-454X	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6 ISSN: 1552-454X	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2022	Journal of enzyme inhibition and medicinal chemistry, Dec, Volume: 37, Issue:1 ISSN: 1475-6374

Research

Studies (55)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	14 (25.45)	18.7374
1990's	8 (14.55)	18.2507
2000's	8 (14.55)	29.6817
2010's	17 (30.91)	24.3611
2020's	8 (14.55)	2.80

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (1.82%)	6.00%
Case Studies	1 (1.82%)	4.05%
Observational	0 (0.00%)	0.25%
Other	53 (96.36%)	84.16%

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	2000's
gamma-aminobutyric acid	1	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule	2007	2007	17.0	low	1
acetamide	1	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia		2007	2007	17.0	low	1
quinacrine	1	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor	2007	2007	17.0	low	1
catechol	1	catechols	allelochemical; genotoxin; plant metabolite	2007	2007	17.0	low	1
taxifolin	1	3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone		2007	2007	17.0	low	1
phosphonoacetic acid	1	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor	2007	2007	17.0	low	1
3,4-dihydroxyphenylacetic acid	1	catechols; dihydroxyphenylacetic acid	human metabolite	2007	2007	17.0	low	1
aminocaproic acid	1	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite	2007	2007	17.0	low	1
diacetyl	1	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite	2007	2007	17.0	low	1
hydroquinone	1	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent	2007	2007	17.0	low	1
melatonin	1	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger	2007	2007	17.0	low	1
n-acetylserotonin	1	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist	2007	2007	17.0	low	1
pyrazinamide	1	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug	2007	2007	17.0	low	1
quinolinic acid	1	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist	2007	2007	17.0	low	1
taurine	1	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite	2007	2007	17.0	low	1
2-amino-5-phosphonovalerate	1	non-proteinogenic alpha-amino acid	NMDA receptor antagonist	2007	2007	17.0	low	1
alpha-methyl-4-carboxyphenylglycine	1			2007	2007	17.0	low	1
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid	1			2007	2007	17.0	low	1
1-hydroxy-3-amino-2-pyrrolidone	1			2007	2007	17.0	low	1
ibotenic acid	1	non-proteinogenic alpha-amino acid	neurotoxin	2007	2007	17.0	low	1
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane	1			2007	2007	17.0	medium	1
sk&f-38393	1	benzazepine; catechols; secondary amino compound		2007	2007	17.0	low	1
vanilmandelic acid	1	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite	2007	2007	17.0	low	1
1,10-diaminodecane	1			2007	2007	17.0	low	1
1,3-diethyl-8-phenylxanthine	1			2007	2007	17.0	low	1
1,3-dipropyl-8-cyclopentylxanthine	1	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor	2007	2007	17.0	low	1
1,3-dipropyl-8-(4-sulfophenyl)xanthine	1			2007	2007	17.0	low	1
1,5-dihydroxyisoquinoline	1	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2007	2007	17.0	low	1
pk 11195	1	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent	2007	2007	17.0	low	1
1-(2-trifluoromethylphenyl)imidazole	1	imidazoles		2007	2007	17.0	low	1
1-aminobenzotriazole	1			2007	2007	17.0	low	1
1-methylimidazole	1	imidazoles		2007	2007	17.0	low	1
edelfosine	1	glycerophosphocholine		2007	2007	17.0	low	1
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one	1	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor	2007	2007	17.0	low	1
2,2'-dipyridyl	1	bipyridine	chelator; ferroptosis inhibitor	2007	2007	17.0	low	1
2-hydroxysaclofen	1	organochlorine compound		2007	2007	17.0	low	1
3,4-dichloroisocoumarin	1	isocoumarins; organochlorine compound	geroprotector; serine protease inhibitor	2007	2007	17.0	low	1
phaclofen	1	organophosphate oxoanion; zwitterion		2007	2007	17.0	low	1
3-aminobenzamide	1	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2007	2007	17.0	low	1
3-bromo-7-nitroindazole	1			2007	2007	17.0	low	1
enprofylline	1	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug	2007	2007	17.0	low	1
3-nitropropionic acid	1	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin	2007	2007	17.0	low	1
4-amino-1,8-naphthalimide	1	benzoisoquinoline; dicarboximide		2007	2007	17.0	low	1
4-aminopyridine	1	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker	2007	2007	17.0	low	1
homovanillic acid	1	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite	2007	2007	17.0	low	1
4-hydroxybenzoic acid hydrazide	1	carbohydrazide; phenols		2007	2007	17.0	low	1
4-phenyl-3-furoxancarbonitrile	1	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent	2007	2007	17.0	low	1
5,5-dimethyl-1-pyrroline-1-oxide	1	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent	2007	2007	17.0	low	1
phenytoin	1	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent	2007	2007	17.0	low	1
5,7-dichlorokynurenic acid	1	quinolines		2007	2007	17.0	low	1
5-(n,n-hexamethylene)amiloride	1	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker	2007	2007	17.0	low	1
ethylisopropylamiloride	1	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker	2007	2007	17.0	low	1
5-fluoroindole-2-carboxylic acid	1	indolyl carboxylic acid		2007	2007	17.0	low	1
hydroxyindoleacetic acid	1	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite	2007	2007	17.0	low	1
phenanthridone	1	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen	2007	2007	17.0	low	1
6-chloromelatonin	1	acetamides		2007	2007	17.0	low	1
6-hydroxymelatonin	1	acetamides; tryptamines	metabolite; mouse metabolite	2007	2007	17.0	low	1
6-methoxytryptoline	1			2007	2007	17.0	low	1
6-nitroso-1,2-benzopyrone	1			2007	2007	17.0	low	1
7-chlorokynurenic acid	1	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist	2007	2007	17.0	low	1
7-nitroindazole	1			2007	2007	17.0	low	1
8-(4-sulfophenyl)theophylline	1			2007	2007	17.0	low	1
8-cyclopentyl-1,3-dimethylxanthine	1	oxopurine		2007	2007	17.0	low	1
8-phenyltheophylline	1			2007	2007	17.0	low	1
acetazolamide	1	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor	2007	2007	17.0	low	1
acetohexamide	1	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue	2007	2007	17.0	low	1
ag 127	1	nitrophenol		2007	2007	17.0	low	1
rtki cpd	1	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector	2007	2007	17.0	low	1
tyrphostin a23	1	catechols		2007	2007	17.0	low	1
tyrphostin 25	1	benzenetriol		2007	2007	17.0	low	1
tyrphostin a1	1	methoxybenzenes	geroprotector	2007	2007	17.0	low	1
1-aminoindan-1,5-dicarboxylic acid	1			2007	2007	17.0	low	1
albuterol	1	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic	2007	2007	17.0	low	1
alpha-methyltyrosine methyl ester	1			2007	2007	17.0	low	1
altretamine	1	triamino-1,3,5-triazine		2007	2007	17.0	low	1
amfonelic acid	1			2007	2007	17.0	low	1
amifostine anhydrous	1	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent	2007	2007	17.0	low	1
theophylline	1	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent	2007	2007	17.0	low	1
amoxapine	1	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor	2007	2007	17.0	low	1
aniracetam	1	N-acylpyrrolidine; pyrrolidin-2-ones		2007	2007	17.0	low	1
2-amino-4-phosphonobutyric acid	1			2007	2007	17.0	low	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	2007	2007	17.0	low	1
atenolol	1	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic	2007	2007	17.0	low	1
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate	1	alpha-amino acid		2007	2007	17.0	low	1
aurintricarboxylic acid	1	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist	2007	2007	17.0	low	1
azathioprine	1	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug	2007	2007	17.0	low	1
azelaic acid	1	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite	2007	2007	17.0	low	1
baclofen	1	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant	2007	2007	17.0	low	1
bay-k-8644	1	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester		2007	2007	17.0	low	1
benzamide	1	benzamides		2007	2007	17.0	low	1
bepridil	1	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent	2007	2007	17.0	low	1
bml 190	1	N-acylindole		2007	2007	17.0	low	1
brimonidine	1	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent	2007	2007	17.0	low	1
bumetanide	1	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor	2007	2007	17.0	low	1
caffeine	1	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic	2007	2007	17.0	low	1
carbamazepine	1	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic	2007	2007	17.0	low	1
carbetapentane	1	benzenes		2007	2007	17.0	low	1
carisoprodol	1	carbamate ester	muscle relaxant	2007	2007	17.0	low	1
carmustine	1	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent	2007	2007	17.0	low	1
cgs 12066	1	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist	2007	2007	17.0	low	1
cgs 15943	1	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	2007	2007	17.0	low	1
chlorambucil	1	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent	2007	2007	17.0	low	1
chlormezanone	1	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant	2007	2007	17.0	low	1
chlorothiazide	1	benzothiadiazine	antihypertensive agent; diuretic	2007	2007	17.0	low	1
chlorpropamide	1	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue	2007	2007	17.0	low	1
chlorzoxazone	1	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative	2007	2007	17.0	low	1
cilostamide	1	quinolines		2007	2007	17.0	low	1
cilostazol	1	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent	2007	2007	17.0	low	1
cimetidine	1	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor	2007	2007	17.0	low	1
cinoxacin	1	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent	2007	2007	17.0	low	1
ciprofibrate	1	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug	2007	2007	17.0	low	1
clofibrate	1	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist	2007	2007	17.0	low	1
clotrimazole	1	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic	2007	2007	17.0	low	1
cx546	1			2007	2007	17.0	low	1
cyclothiazide	1	benzothiadiazine	antihypertensive agent; diuretic	2007	2007	17.0	low	1
dephostatin	1			2007	2007	17.0	low	1
nonivamide	1	capsaicinoid; phenols	lachrymator	2007	2007	17.0	low	1
r 59022	1	diarylmethane		2007	2007	17.0	low	1
diazoxide	1	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent	2007	2007	17.0	low	1
pentetic acid	1	pentacarboxylic acid	copper chelator	2007	2007	17.0	low	1
diphenyleneiodonium	1	organic cation		2007	2007	17.0	low	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	2007	2007	17.0	low	1
disopyramide	1	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug	2007	2007	17.0	low	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	2007	2007	17.0	low	1
2-amino-7-phosphonoheptanoic acid	1			2007	2007	17.0	low	1
thiorphan	1	N-acyl-amino acid		2007	2007	17.0	low	1
2,3-dimethoxy-1,4-naphthoquinone	1	1,4-naphthoquinones		2007	2007	17.0	low	1
domperidone	1	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist	2007	2007	17.0	low	1
droperidol	1	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic	2007	2007	17.0	low	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	2007	2007	17.0	low	1
ellipticine	1	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite	2007	2007	17.0	low	1
emodin	1	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor	2007	2007	17.0	low	1
ethosuximide	1	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker	2007	2007	17.0	low	1
etodolac	1	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	2007	2007	17.0	low	1
felbamate	1	carbamate ester	anticonvulsant; neuroprotective agent	2007	2007	17.0	low	1
felodipine	1	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent	2007	2007	17.0	low	1
fenofibrate	1	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic	2007	2007	17.0	low	1
flumazenil	1	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist	2007	2007	17.0	low	1
fluorouracil	1	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic	2007	2007	17.0	low	1
fluspirilene	1	diarylmethane		2007	2007	17.0	low	1
flutamide	1	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent	2007	2007	17.0	low	1
formoterol fumarate	1	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound		2007	2007	17.0	low	1
fpl 64176	1	carboxylic ester; pyrroles	calcium channel agonist	2007	2007	17.0	low	1
furafylline	1	oxopurine		2007	2007	17.0	low	1
furosemide	1	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic	2007	2007	17.0	low	1
fusaric acid	1	aromatic carboxylic acid; pyridines		2007	2007	17.0	low	1
gabapentin	1	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic	2007	2007	17.0	low	1
4-amino-5-hexynoic acid	1			2007	2007	17.0	low	1
glipizide	1	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue	2007	2007	17.0	low	1
glyburide	1	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent	2007	2007	17.0	low	1
1-(5-isoquinolinesulfonyl)piperazine	1	isoquinolines		2007	2007	17.0	low	1
haloperidol	1	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist	2007	2007	17.0	low	1
hemicholinium 3	1	morpholines		2007	2007	17.0	low	1
4-fluorohexahydrosiladifenidol	1			2007	2007	17.0	low	1
hydrochlorothiazide	1	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic	2007	2007	17.0	low	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	2007	2007	17.0	low	1
ibudilast	1	pyrazolopyridine		2007	2007	17.0	low	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	2007	2007	17.0	low	1
ic 261	1	indoles		2007	2007	17.0	medium	1
ifenprodil	1	piperidines		2007	2007	17.0	low	1
indirubin-3'-monoxime	1			2007	2007	17.0	low	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	2007	2007	17.0	low	1
iodoacetamide	1			2007	2007	17.0	low	1
1-methyl-3-isobutylxanthine	1	3-isobutyl-1-methylxanthine		2007	2007	17.0	low	1
4-piperidinecarboxylic acid	1			2007	2007	17.0	low	1
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline	1			2007	2007	17.0	low	1
jl 18	1			2007	2007	17.0	low	1
nsc 664704	1	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector	2007	2007	17.0	low	1
ketoconazole	1	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine		2007	2007	17.0	low	1
ketoprofen	1	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic	2007	2007	17.0	low	1
kynurenic acid	1	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite	2007	2007	17.0	low	1
2-amino-3-phosphonopropionic acid	1	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist	2007	2007	17.0	low	1
lamotrigine	1	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic	2007	2007	17.0	low	1
lansoprazole	1	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor	2007	2007	17.0	low	1
beta-lapachone	1	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite	2007	2007	17.0	low	1
leflunomide	1	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor	2007	2007	17.0	low	1
linopirdine	1	indoles		2007	2007	17.0	low	1
loratadine	1	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist	2007	2007	17.0	low	1
loxoprofen	1	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	2007	2007	17.0	low	1
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	1	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector	2007	2007	17.0	low	1
meclofenamate sodium anhydrous	1	organic sodium salt		2007	2007	17.0	low	1
methiothepin	1	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist	2007	2007	17.0	low	1
methoctramine	1	aromatic ether; tetramine	muscarinic antagonist	2007	2007	17.0	low	1
nocodazole	1	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator	2007	2007	17.0	low	1
3-Hydroxy-alpha-methyl-DL-tyrosine	1	benzenes; monocarboxylic acid		2007	2007	17.0	low	1
metolazone	1	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor	2007	2007	17.0	low	1
milrinone	1	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent	2007	2007	17.0	low	1
minoxidil	1	dialkylarylamine; tertiary amino compound		2007	2007	17.0	low	1
mitotane	1	diarylmethane		2007	2007	17.0	low	1
mitoxantrone	1	dihydroxyanthraquinone	analgesic; antineoplastic agent	2007	2007	17.0	low	1
ml 7	1	N-sulfonyldiazepane; organoiodine compound	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor	2007	2007	17.0	low	1
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide	1	naphthalenes; organochlorine compound; primary amino compound; sulfonamide		2007	2007	17.0	low	1
n-bromoacetamide	1			2007	2007	17.0	low	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	2007	2007	17.0	low	1
fg 7142	1	beta-carbolines		2007	2007	17.0	low	1
fenamic acid	1	aminobenzoic acid; secondary amino compound	membrane transport modulator	2007	2007	17.0	low	1
n 0840	1			2007	2007	17.0	low	1
nialamide	1	organonitrogen compound; organooxygen compound		2007	2007	17.0	low	1
niclosamide	1	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor	2007	2007	17.0	low	1
nifedipine	1	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent	2007	2007	17.0	low	1
niflumic acid	1	aromatic carboxylic acid; pyridines		2007	2007	17.0	low	1
nilutamide	1	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent	2007	2007	17.0	low	1
nimesulide	1	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug	2007	2007	17.0	low	1
nimodipine	1	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent	2007	2007	17.0	low	1
nipecotic acid	1	beta-amino acid; piperidinemonocarboxylic acid		2007	2007	17.0	low	1
nitrendipine	1	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent	2007	2007	17.0	low	1
masoprocol	1	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite	2007	2007	17.0	low	1
5-nitro-2-(3-phenylpropylamino)benzoic acid	1	nitrobenzoic acid		2007	2007	17.0	low	1
ns 2028	1			2007	2007	17.0	low	1
ns 1619	1	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener	2007	2007	17.0	low	1
o(6)-benzylguanine	1			2007	2007	17.0	low	1
ofloxacin	1	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline		2007	2007	17.0	low	1
olomoucine	1	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2007	2007	17.0	low	1
oxaprozin	1	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug	2007	2007	17.0	low	1
oxatomide	1	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist	2007	2007	17.0	low	1
oxiracetam	1	organonitrogen compound; organooxygen compound		2007	2007	17.0	low	1
oxolinic acid	1	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor	2007	2007	17.0	low	1
quinone	1	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite	2007	2007	17.0	low	1
fenclonine	1	phenylalanine derivative		2007	2007	17.0	low	1
palmidrol	1	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent	2007	2007	17.0	low	1
1,7-dimethylxanthine	1	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite	2007	2007	17.0	low	1
pd 98059	1	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector	2007	2007	17.0	low	1
pentamidine	1	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic	2007	2007	17.0	low	1
pentoxifylline	1	oxopurine		2007	2007	17.0	low	1
perphenazine	1	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug	2007	2007	17.0	low	1
phenyl biguanide	1	guanidines	central nervous system drug	2007	2007	17.0	low	1
phenylbutazone	1	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug	2007	2007	17.0	low	1
phloretin	1	dihydrochalcones	antineoplastic agent; plant metabolite	2007	2007	17.0	low	1
picotamide	1	benzamides		2007	2007	17.0	low	1
pinacidil	1	pyridines		2007	2007	17.0	low	1
pindolol	1	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent	2007	2007	17.0	low	1
piperidine-4-sulfonic acid	1			2007	2007	17.0	low	1
piracetam	1	organonitrogen compound; organooxygen compound		2007	2007	17.0	low	1
pirenperone	1	aromatic ketone		2007	2007	17.0	low	1
praziquantel	1	isoquinolines		2007	2007	17.0	low	1
primidone	1	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic	2007	2007	17.0	low	1
proglumide	1	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite	2007	2007	17.0	low	1
propentofylline	1	oxopurine		2007	2007	17.0	low	1
propofol	1	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative	2007	2007	17.0	low	1
pf 5901	1	quinolines		2007	2007	17.0	low	1
riluzole	1	benzothiazoles		2007	2007	17.0	low	1
risperidone	1	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist	2007	2007	17.0	low	1
ritanserin	1	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist	2007	2007	17.0	low	1
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone	1	methoxybenzenes		2007	2007	17.0	low	1
rolipram	1	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor	2007	2007	17.0	low	1
salmeterol xinafoate	1	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound		2007	2007	17.0	low	1
sb 202190	1	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2007	2007	17.0	low	1
sobuzoxane	1	organic molecular entity		2007	2007	17.0	low	1
spiroxatrine	1	imidazolidines		2007	2007	17.0	low	1
sq 22536	1	nucleoside analogue; oxolanes	EC 4.6.1.1 (adenylate cyclase) inhibitor	2007	2007	17.0	low	1
sulfaphenazole	1	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor	2007	2007	17.0	low	1
sulpiride	1	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist	2007	2007	17.0	low	1
t0156	1	naphthyridine derivative		2007	2007	17.0	low	1
1,4-bis(2-(3,5-dichloropyridyloxy))benzene	1			2007	2007	17.0	low	1
terfenadine	1	diarylmethane		2007	2007	17.0	low	1
tetraisopropylpyrophosphamide	1	phosphoramide		2007	2007	17.0	low	1
thalidomide	1	phthalimides; piperidones		2007	2007	17.0	low	1
theobromine	1	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent	2007	2007	17.0	low	1
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate	1	trihydroxybenzoic acid		2007	2007	17.0	low	1
tolazamide	1	N-sulfonylurea	hypoglycemic agent; potassium channel blocker	2007	2007	17.0	low	1
tolbutamide	1	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker	2007	2007	17.0	low	1
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid	1			2007	2007	17.0	low	1
ici 136,753	1	pyrazolopyridine		2007	2007	17.0	low	1
triamterene	1	pteridines	diuretic; sodium channel blocker	2007	2007	17.0	low	1
trimethoprim	1	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic	2007	2007	17.0	low	1
tropicamide	1	acetamides		2007	2007	17.0	low	1
tyrphostin a9	1	alkylbenzene	geroprotector	2007	2007	17.0	low	1
vigabatrin	1	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor	2007	2007	17.0	low	1
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine	1			2007	2007	17.0	low	1
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	1	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent	2007	2007	17.0	low	1
zardaverine	1	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug	2007	2007	17.0	low	1
cortisone acetate	1	corticosteroid hormone		2007	2007	17.0	low	1
corticosterone	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite	2007	2007	17.0	low	1
reserpine	1	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic	2007	2007	17.0	low	1
procaine hydrochloride	1	organic molecular entity		2007	2007	17.0	low	1
isoproterenol hydrochloride	1	catechols		2007	2007	17.0	low	1
histamine dihydrochloride	1			2007	2007	17.0	low	1
carbachol	1	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic	2007	2007	17.0	low	1
spironolactone	1	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic	2007	2007	17.0	low	1
estrone	1	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite	2007	2007	17.0	low	1
androsterone	1	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone	2007	2007	17.0	low	1
promazine hydrochloride	1	hydrochloride		2007	2007	17.0	low	1
pilocarpine hydrochloride	1	hydrochloride		2007	2007	17.0	low	1
dimethylphenylpiperazinium iodide	1	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist	2007	2007	17.0	low	1
pentylenetetrazole	1	organic heterobicyclic compound; organonitrogen heterocyclic compound		2007	2007	17.0	low	1
racepinephrine hydrochloride	1			2007	2007	17.0	low	1
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride	1			2007	2007	17.0	low	1
hexamethonium bromide	1			2007	2007	17.0	low	1
cystamine dihydrochloride	1			2007	2007	17.0	medium	1
cantharidin	1	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide	2007	2007	17.0	low	1
tetraethylammonium chloride	1	organic chloride salt; quaternary ammonium salt	potassium channel blocker	2007	2007	17.0	low	1
aspartic acid	1	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter	2007	2007	17.0	low	1
glutamine	1	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite	2007	2007	17.0	low	1
vincristine	1	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	2007	2007	17.0	low	1
physostigmine	1	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic	2007	2007	17.0	low	1
apomorphine	1	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug	2007	2007	17.0	low	1
promethazine hydrochloride	1	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative	2007	2007	17.0	low	1
bromodeoxyuridine	1	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent	2007	2007	17.0	low	1
levodopa	1	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug	2007	2007	17.0	low	1
methoxamine hydrochloride	1	dimethoxybenzene		2007	2007	17.0	low	1
papaverine hydrochloride	1			2007	2007	17.0	low	1
bretylium tosylate	1	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent	2007	2007	17.0	low	1
berlition	1	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group	2007	2007	17.0	low	1
methacholine chloride	1	quaternary ammonium salt		2007	2007	17.0	low	1
androstenedione	1	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite	2007	2007	17.0	low	1
colchicine	1	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen	2007	2007	17.0	low	1
yohimbine hydrochloride	1			2007	2007	17.0	low	1
gallamine triethiodide	1			2007	2007	17.0	low	1
cycloheximide	1	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor	2007	2007	17.0	low	1
egtazic acid	1	diether; tertiary amino compound; tetracarboxylic acid	chelator	2007	2007	17.0	low	1
cycloserine	1	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist	2007	2007	17.0	low	1
17-alpha-hydroxyprogesterone	1	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin	2007	2007	17.0	low	1
quinacrine monohydrochloride	1			2007	2007	17.0	medium	1
chlorpromazine hydrochloride	1	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug	2007	2007	17.0	low	1
cytarabine hydrochloride	1			2007	2007	17.0	low	1
tryptophan	1	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite	2007	2007	17.0	low	1
lidocaine hydrochloride	1	hydrochloride	anti-arrhythmia drug; local anaesthetic	2007	2007	17.0	low	1
arginine	1	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical	2007	2007	17.0	low	1
rotenone	1	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin	2007	2007	17.0	low	1
synephrine	1	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite	2007	2007	17.0	low	1
pyridostigmine bromide	1	pyridinium salt		2007	2007	17.0	low	1
imipramine hydrochloride	1	hydrochloride	antidepressant	2007	2007	17.0	low	1
neostigmine bromide	1	bromide salt		2007	2007	17.0	low	1
edrophonium chloride	1	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor	2007	2007	17.0	low	1
suramin sodium	1	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug	2007	2007	17.0	low	1
pyrazolanthrone	1	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector	2007	2007	17.0	low	1
methapyrilene hydrochloride	1	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative	2007	2007	17.0	low	1
tetrracaine hydrochloride	1	benzoate ester		2007	2007	17.0	low	1
chelidamic acid	1			2007	2007	17.0	low	1
2-chloroadenosine	1	purine nucleoside		2007	2007	17.0	low	1
diphenhydramine hydrochloride	1	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative	2007	2007	17.0	low	1
cysteamine hydrochloride	1			2007	2007	17.0	low	1
propantheline bromide	1	xanthenes		2007	2007	17.0	low	1
hydralazine hydrochloride	1	hydrochloride	antihypertensive agent; vasodilator agent	2007	2007	17.0	low	1
ethamivan	1	methoxybenzenes; phenols		2007	2007	17.0	low	1
pargyline hydrochloride	1			2007	2007	17.0	low	1
aminophylline	1	mixture	bronchodilator agent; cardiotonic drug	2007	2007	17.0	low	1
azacitidine	1	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent	2007	2007	17.0	low	1
orphenadrine hydrochloride	1	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic	2007	2007	17.0	low	1
betamethasone	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent	2007	2007	17.0	low	1
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide	1			2007	2007	17.0	low	1
cyproterone acetate	1	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin	2007	2007	17.0	low	1
bicuculline	1	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin	2007	2007	17.0	low	1
kainic acid	1	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist	2007	2007	17.0	low	1
podophyllotoxin	1	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	2007	2007	17.0	low	1
tetrahydrozoline hydrochloride	1	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent	2007	2007	17.0	low	1
dequalinium chloride	1	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor	2007	2007	17.0	low	1
decamethonium dibromide	1			2007	2007	17.0	low	1
amitriptyline hydrochloride	1	organic tricyclic compound		2007	2007	17.0	low	1
naphazoline hydrochloride	1	organic molecular entity		2007	2007	17.0	low	1
doxylamine succinate	1	organic molecular entity		2007	2007	17.0	low	1
carbamylhydrazine monohydrochloride	1	organic molecular entity		2007	2007	17.0	medium	1
formestane	1	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor	2007	2007	17.0	low	1
debrisoquin sulfate	1	organic sulfate salt		2007	2007	17.0	low	1
betaine hydrochloride	1			2007	2007	17.0	low	1
bethanechol chloride	1	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist	2007	2007	17.0	low	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	2007	2007	17.0	low	1
Mecamylamine hydrochloride	1	monoterpenoid		2007	2007	17.0	medium	1
vinblastine	1			2007	2007	17.0	low	1
cyproheptadine hydrochloride (anhydrous)	1	hydrochloride		2007	2007	17.0	low	1
5 alpha-androstane-3 alpha,17 beta-diol	1	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite	2007	2007	17.0	low	1
pimozide	1	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist	2007	2007	17.0	low	1
azetidyl-2-carboxylic acid	1	azetidine-2-carboxylic acid		2007	2007	17.0	low	1
muscarine	1			2007	2007	17.0	medium	1
antazoline hydrochloride	1			2007	2007	17.0	low	1
doxifluridine	1	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug	2007	2007	17.0	low	1
meclofenoxate hydrochloride	1			2007	2007	17.0	low	1
clonidine hydrochloride	1	dichlorobenzene		2007	2007	17.0	low	1
beclomethasone	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug	2007	2007	17.0	low	1
buthionine sulfoximine	1	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer	2007	2007	17.0	low	1
mexiletine hydrochloride	1	hydrochloride	anti-arrhythmia drug	2007	2007	17.0	low	1
cyclophosphamide	1	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent	2007	2007	17.0	low	1
suxamethonium chloride	1	chloride salt	muscle relaxant	2007	2007	17.0	low	1
cyclobenzaprine hydrochloride	1	hydrochloride	antidepressant; muscle relaxant	2007	2007	17.0	low	1
n-methylaspartate	1	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent	2007	2007	17.0	low	1
3-deazaadenosine	1			2007	2007	17.0	low	1
metoclopramide hydrochloride	1			2007	2007	17.0	low	1
isoetharine mesylate	1			2007	2007	17.0	low	1
zalcitabine	1	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor	2007	2007	17.0	low	1
propionylpromazine hydrochloride	1			2007	2007	17.0	low	1
camptothecin	1	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite	2007	2007	17.0	low	1
nsc-145,668	1	hydrochloride	antimetabolite; antineoplastic agent	2007	2007	17.0	medium	1
clodronic acid	1	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent	2007	2007	17.0	low	1
benserazide hydrochloride	1	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor	2007	2007	17.0	low	1
pancuronium bromide	1	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist	2007	2007	17.0	medium	1
tetradecanoylphorbol acetate	1	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator	2007	2007	17.0	low	1
danazol	1	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector	2007	2007	17.0	low	1
metergoline	1	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist	2007	2007	17.0	low	1
lisuride	1	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist	2007	2007	17.0	low	1
disopyramide phosphate	1	organoammonium phosphate		2007	2007	17.0	low	1
bromocriptine	1	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist	2007	2007	17.0	low	1
ergocristine	1	ergot alkaloid		2007	2007	17.0	low	1
triamcinolone	1	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug	2007	2007	17.0	low	1
zidovudine	1	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor	2007	2007	17.0	low	1
paclitaxel	1	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent	2007	2007	17.0	low	1
buspirone hydrochloride	1	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist	2007	2007	17.0	low	1
etoposide	1	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor	2007	2007	17.0	low	1
propafenone hydrochloride	1	hydrochloride	anti-arrhythmia drug	2007	2007	17.0	low	1
etazolate hydrochloride	1			2007	2007	17.0	low	1
butaclamol	1	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist	2007	2007	17.0	low	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	2007	2007	17.0	low	1
carbidopa	1	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor	2007	2007	17.0	low	1
cephradine	1	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug	2007	2007	17.0	low	1
methyldopa	1	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent	2007	2007	17.0	low	1
lonidamine	1	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector	2007	2007	17.0	low	1
dexibuprofen	1	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug	2007	2007	17.0	low	1
quisqualic acid	1	non-proteinogenic alpha-amino acid		2007	2007	17.0	low	1
pirfenidone	1	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug	2007	2007	17.0	low	1
flecainide acetate	1	acetate salt	anti-arrhythmia drug	2007	2007	17.0	low	1
nicardipine hydrochloride	1	dihydropyridine	geroprotector	2007	2007	17.0	low	1
idarubicin	1	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative		2007	2007	17.0	low	1
captopril	1	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor	2007	2007	17.0	low	1
terazosin hydrochloride anhydrous	1			2007	2007	17.0	low	1
pergolide mesylate	1	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector	2007	2007	17.0	low	1
ranitidine hydrochloride	1			2007	2007	17.0	medium	1
colforsin	1	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist	2007	2007	17.0	low	1
cefaclor anhydrous	1	cephalosporin	antibacterial drug; drug allergen	2007	2007	17.0	low	1
alo 2145	1	hydrochloride	alpha-adrenergic agonist; antiglaucoma drug	2007	2007	17.0	medium	1
enoximone	1	aromatic ketone		2007	2007	17.0	low	1
atomoxetine	1	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic	2007	2007	17.0	low	1
raloxifene hydrochloride	1	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator	2007	2007	17.0	low	1
mifepristone	1	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive	2007	2007	17.0	low	1
quinpirole hydrochloride	1			2007	2007	17.0	low	1
imazodan	1			2007	2007	17.0	low	1
mibefradil dihydrochloride	1			2007	2007	17.0	low	1
aptiganel hydrochloride	1			2007	2007	17.0	low	1
adenosine	1	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent	2007	2007	17.0	low	1
phenelzine sulfate	1	organic molecular entity		2007	2007	17.0	low	1
fluoxetine hydrochloride	1	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine		2007	2007	17.0	low	1
propranolol hydrochloride	1	hydrochloride		2007	2007	17.0	low	1
bupropion hydrochloride	1	aromatic ketone		2007	2007	17.0	low	1
diltiazem hydrochloride	1	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent	2007	2007	17.0	low	1
trazodone hydrochloride	1	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor	2007	2007	17.0	low	1
verapamil hydrochloride	1			2007	2007	17.0	low	1
doxazosin mesylate	1	methanesulfonate salt	geroprotector	2007	2007	17.0	low	1
terfenadine	1	diarylmethane		2007	2007	17.0	low	1
amantadine hydrochloride	1	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist	2007	2007	17.0	low	1
mevastatin	1	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite	2007	2007	17.0	low	1
chloroquine diphosphate	1			2007	2007	17.0	low	1
dobutamine hydrochloride	1	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent	2007	2007	17.0	low	1
desipramine hydrochloride	1	hydrochloride	drug allergen	2007	2007	17.0	low	1
dopamine hydrochloride	1	catecholamine		2007	2007	17.0	low	1
proadifen hydrochloride	1			2007	2007	17.0	low	1
4-nitrobenzylthioinosine	1	purine nucleoside		2007	2007	17.0	low	1
metrifudil	1			2007	2007	17.0	low	1
rutecarpine	1	beta-carbolines		2007	2007	17.0	low	1
trihexyphenidyl hydrochloride	1	aralkylamine		2007	2007	17.0	low	1
thioridazine hydrochloride	1	hydrochloride	first generation antipsychotic; geroprotector	2007	2007	17.0	low	1
procainamide hydrochloride	1	hydrochloride	anti-arrhythmia drug	2007	2007	17.0	low	1
siquil	1	hydrochloride	anticoronaviral agent	2007	2007	17.0	low	1
sotalol hydrochloride	1	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist	2007	2007	17.0	low	1
oxymetazoline hydrochloride	1	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent	2007	2007	17.0	low	1
alprenolol hydrochloride	1	hydrochloride		2007	2007	17.0	low	1
2-methoxyestradiol	1	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite	2007	2007	17.0	low	1
fluphenazine hydrochloride	1	phenothiazines	anticoronaviral agent	2007	2007	17.0	low	1
tryptamine monohydrochloride	1			2007	2007	17.0	medium	1
clomipramine hydrochloride	1	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug	2007	2007	17.0	low	1
amiloride hydrochloride	1	hydrate	diuretic; sodium channel blocker	2007	2007	17.0	low	1
prazosin hydrochloride	1	hydrochloride		2007	2007	17.0	low	1
mianserin hydrochloride	1	hydrochloride	geroprotector	2007	2007	17.0	low	1
lomefloxacin hydrochloride	1	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent	2007	2007	17.0	low	1
fenspiride hydrochloride	1			2007	2007	17.0	low	1
nilverm	1	organic molecular entity		2007	2007	17.0	low	1
sanguinarine chloride	1			2007	2007	17.0	low	1
ropinirole hydrochloride	1	indoles		2007	2007	17.0	medium	1
plasmenylserine	1	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	2007	2007	17.0	low	1
5-aminovaleric acid hydrochloride	1			2007	2007	17.0	low	1
n-acetyltryptamine	1	acetamides; indoles		2007	2007	17.0	low	1
D-serine	1	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist	2007	2007	17.0	low	1
dihydroergotamine mesylate	1	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent	2007	2007	17.0	low	1
ranolazine hydrochloride	1			2007	2007	17.0	medium	1
loxapine succinate	1	succinate salt	geroprotector	2007	2007	17.0	low	1
guanfacine hydrochloride	1	acetamides	geroprotector	2007	2007	17.0	low	1
pirenzepine dihydrochloride	1	hydrochloride		2007	2007	17.0	medium	1
labetalol hydrochloride	1	salicylamides		2007	2007	17.0	low	1
acecainide hydrochloride	1			2007	2007	17.0	low	1
loperamide hydrochloride	1	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist	2007	2007	17.0	low	1
maprotiline hydrochloride	1	anthracenes		2007	2007	17.0	low	1
protoporphyrin ix, disodium salt	1			2007	2007	17.0	low	1
siguazodan	1	pyridazinone		2007	2007	17.0	low	1
3-octadecanamido-2-ethoxypropylphosphocholine	1			2007	2007	17.0	low	1
chelerythrine chloride	1			2007	2007	17.0	low	1
tosyllysine chloromethyl ketone	1			2007	2007	17.0	low	1
5-(n-methyl-n-isobutyl)amiloride	1			2007	2007	17.0	low	1
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride	1	hydrochloride	EC 2.7.11.13 (protein kinase C) inhibitor	2007	2007	17.0	medium	1
amperozide hydrochloride	1	hydrochloride	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist	2007	2007	17.0	low	1
pyrrolidine dithiocarbamic acid	1			2007	2007	17.0	medium	1
agroclavine	1	ergot alkaloid		2007	2007	17.0	low	1
s-methylisothiourea sulfate	1			2007	2007	17.0	medium	1
p-Aminobenzamidine dihydrochloride	1	organic molecular entity		2007	2007	17.0	medium	1
benzamidine hydrochloride	1			2007	2007	17.0	medium	1
ketorolac tromethamine	1	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor	2007	2007	17.0	low	1
methionine sulfoximine	1	L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector	2007	2007	17.0	low	1
tretazicar	1			2007	2007	17.0	low	1
carbetapentane citrate	1	carbonyl compound		2007	2007	17.0	low	1
phentolamine mesylate	1			2007	2007	17.0	low	1
mephentermine	1	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite	2007	2007	17.0	low	1
oxybutynin hydrochloride	1	hydrochloride		2007	2007	17.0	low	1
nimustine	1	hydrochloride	antineoplastic agent	2007	2007	17.0	medium	1
cordium	1	hydrate; hydrochloride		2007	2007	17.0	medium	1
L-2-aminoadipic acid	1	2-aminoadipic acid	Escherichia coli metabolite; human metabolite	2007	2007	17.0	low	1
prilocaine hydrochloride	1	hydrochloride	local anaesthetic	2007	2007	17.0	low	1
mor-14	1	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite	2007	2007	17.0	low	1
brexanolone	1	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative	2007	2007	17.0	low	1
phenylisopropyladenosine	1	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent	2007	2007	17.0	low	1
hexamethonium chloride	1			2007	2007	17.0	low	1
6-(4-nitrobenzylthio)guanosine	1			2007	2007	17.0	low	1
3-aminopropylphosphonic acid	1	phosphonic acids; primary amino compound; zwitterion	GABAB receptor agonist	2007	2007	17.0	low	1
5'-n-methylcarboxamideadenosine	1			2007	2007	17.0	low	1
3,7-dimethyl-1-propargylxanthine	1			2007	2007	17.0	low	1
zpck	1			2007	2007	17.0	low	1
n(6)-phenyladenosine	1	purine nucleoside		2007	2007	17.0	low	1
tetrahydrodeoxycorticosterone	1	21-hydroxy steroid		2007	2007	17.0	low	1
n-methyladenosine	1	methyladenosine		2007	2007	17.0	low	1
mizoribine	1	imidazoles	anticoronaviral agent	2007	2007	17.0	low	1
1-amino-1,3-dicarboxycyclopentane	1			2007	2007	17.0	low	1
u 73122	1	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor	2007	2007	17.0	low	1
alphaxalone	1	corticosteroid hormone		2007	2007	17.0	low	1
s-nitrosoglutathione	1	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule	2007	2007	17.0	low	1
cp-55,940	1			2007	2007	17.0	low	1
vanoxerine	1	hydrochloride	dopamine uptake inhibitor	2007	2007	17.0	low	1
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate	1	beta-carbolines		2007	2007	17.0	low	1
u 69593	1	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist	2007	2007	17.0	low	1
cv 3988	1			2007	2007	17.0	low	1
beta-carboline-3-carboxylic acid methyl ester	1	beta-carbolines		2007	2007	17.0	low	1
methoctramine	1	hydrochloride	muscarinic antagonist	2007	2007	17.0	low	1
hypotaurine	1	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite	2007	2007	17.0	low	1
dihydrokainate	1	dicarboxylic acid		2007	2007	17.0	low	1
gabazine	1			2007	2007	17.0	medium	1
cl 218872	1	pyridazines; ring assembly		2007	2007	17.0	low	1
betaxolol hydrochloride	1	hydrochloride	antihypertensive agent; beta-adrenergic antagonist	2007	2007	17.0	low	1
catechin	1	hydrate	geroprotector	2007	2007	17.0	medium	1
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine	1	hydrobromide	serotonergic antagonist	2007	2007	17.0	medium	1
s-methylthiocitrulline	1	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent	2007	2007	17.0	low	1
dihydrocapsaicin	1	capsaicinoid		2007	2007	17.0	low	1
ml 9	1			2007	2007	17.0	low	1
parthenolide	1	germacranolide		2007	2007	17.0	low	1
3',4'-dichlorobenzamil	1	guanidines; pyrazines		2007	2007	17.0	low	1
1-(carboxymethylthio)tetradecane	1	straight-chain fatty acid		2007	2007	17.0	low	1
2-iodomelatonin	1	acetamides		2007	2007	17.0	low	1
arcaine, sulfate	1			2007	2007	17.0	low	1
gr 113808	1	indolyl carboxylate ester; piperidines; sulfonamide	serotonergic antagonist	2007	2007	17.0	low	1
gallopamil hydrochloride	1			2007	2007	17.0	low	1
gamma-glutamylaminomethylsulfonic acid	1			2007	2007	17.0	low	1
buthionine sulfoximine	1	2-amino-4-(S-butylsulfonimidoyl)butanoic acid	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer	2007	2007	17.0	low	1
sb 204070a	1			2007	2007	17.0	low	1
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine	1	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist	2007	2007	17.0	low	1
l 655240	1	methylindole		2007	2007	17.0	low	1
san 58035	1			2007	2007	17.0	low	1
nnc 711	1			2007	2007	17.0	low	1
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide	1	diarylmethane		2007	2007	17.0	low	1
e 64	1	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor	2007	2007	17.0	low	1
azetidine-2,4-dicarboxylic acid	1			2007	2007	17.0	low	1
pre 084	1	morpholines		2007	2007	17.0	low	1
methotrexate	1	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent	2007	2007	17.0	low	1
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol	1			2007	2007	17.0	low	1
sr 2640	1	quinolines		2007	2007	17.0	low	1
ici 204448	1			2007	2007	17.0	medium	1
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride	1			2007	2007	17.0	low	1
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	1	phenylindole		2007	2007	17.0	low	1
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan	1			2007	2007	17.0	low	1
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine	1			2007	2007	17.0	low	1
l 741626	1	piperidines		2007	2007	17.0	low	1
nisoxetine hydrochloride	1			2007	2007	17.0	low	1
ng-nitroarginine methyl ester	1	hydrochloride	EC 1.14.13.39 (nitric oxide synthase) inhibitor	2007	2007	17.0	low	1
tilarginine acetate	1			2007	2007	17.0	low	1
alpha-guanidinoglutaric acid	1	L-glutamic acid derivative		2007	2007	17.0	low	1
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer	1			2007	2007	17.0	low	1
imidazole-4-acetic acid hydrochloride	1			2007	2007	17.0	medium	1
nsc-141549	1			2007	2007	17.0	low	1
2-chloro-2-deoxyglucose	1			2007	2007	17.0	medium	1
idazoxan hydrochloride	1			2007	2007	17.0	low	1
isoguvacine hydrochloride	1			2007	2007	17.0	low	1
8-methoxymethyl-3-isobutyl-1-methylxanthine	1	oxopurine		2007	2007	17.0	low	1
cyc 202	1	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2007	2007	17.0	low	1
Serotonin hydrochloride	1	tryptamines		2007	2007	17.0	low	1
n-phthaloylglutamic acid	1	L-glutamic acid derivative; phthalimides		2007	2007	17.0	low	1
1,3-dipropyl-7-methylxanthine	1			2007	2007	17.0	low	1
ag 3-5	1	C-nitro compound		2007	2007	17.0	low	1
n-n-propylnorapomorphine	1	aporphine alkaloid		2007	2007	17.0	low	1
urapidil monohydrochloride	1			2007	2007	17.0	low	1
aminopterin	1	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen	2007	2007	17.0	low	1
azepexole, dihydrochloride	1			2007	2007	17.0	low	1
2,5-dimethoxy-4-iodoamphetamine hydrochloride	1			2007	2007	17.0	medium	1
abt 980	1			2007	2007	17.0	low	1
sk&f 75670	1			2007	2007	17.0	low	1
esatenolol	1	atenolol	beta-adrenergic antagonist	2007	2007	17.0	low	1
nbi 27914	1	dialkylarylamine; tertiary amino compound		2007	2007	17.0	low	1
sb 216763	1	indoles; maleimides		2007	2007	17.0	low	1
(R)-atenolol	1	atenolol		2007	2007	17.0	low	1
memantine hydrochloride	1	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist	2007	2007	17.0	low	1
pefabloc	1			2007	2007	17.0	low	1
pongidae	1			2007	2007	17.0	medium	1
succinylproline	1	N-acyl-amino acid		2007	2007	17.0	low	1
sb 205384	1	thienopyridine		2007	2007	17.0	low	1
hydrastine	1	isoquinolines	metabolite	2007	2007	17.0	low	1
gabaculine hydrochloride	1			2007	2007	17.0	medium	1
etiron monohydrobromide	1			2007	2007	17.0	medium	1
bmy 7378	1			2007	2007	17.0	low	1
vesamicol	1			2007	2007	17.0	medium	1
cortisone	1	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite	2007	2007	17.0	low	1
vincristine sulfate	1	organic sulfate salt	antineoplastic agent; geroprotector	2007	2007	17.0	low	1
n-methylserotonin oxalate salt	1			2007	2007	17.0	medium	1
nsc 95397	1	1,4-naphthoquinones		2007	2007	17.0	low	1
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	2007	2007	17.0	low	1
lithium chloride	1	inorganic chloride; lithium salt	antimanic drug; geroprotector	2007	2007	17.0	low	1
canavanine	1	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite	2007	2007	17.0	low	1
5-hydroxytryptophan	1	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite	2007	2007	17.0	low	1
ouabain	1	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite	2007	2007	17.0	low	1
tosylphenylalanyl chloromethyl ketone	1	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor	2007	2007	17.0	low	1
monoiodotyrosine	1	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite	2007	2007	17.0	low	1
nitroarginine	1	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid		2007	2007	17.0	low	1
willardiine	1	amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid		2007	2007	17.0	low	1
cortodoxone	1	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite	2007	2007	17.0	low	1
amiodarone hydrochloride	1	aromatic ketone		2007	2007	17.0	low	1
dicyclomine hydrochloride	1	hydrochloride	antispasmodic drug; muscarinic antagonist	2007	2007	17.0	low	1
metyrosine	1	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor	2007	2007	17.0	low	1
nortriptyline hydrochloride	1	organic tricyclic compound	geroprotector	2007	2007	17.0	low	1
paromomycin sulfate	1			2007	2007	17.0	medium	1
Dubinidine	1	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle		2007	2007	17.0	low	1
cyclopamine	1	piperidines	glioma-associated oncogene inhibitor	2007	2007	17.0	low	1
s-(4-azidophenacyl)glutathione	1	peptide		2007	2007	17.0	low	1
hydroxylamine hydrochloride	1	organic molecular entity		2007	2007	17.0	medium	1
sb 228357	1	indolyl carboxylic acid		2007	2007	17.0	medium	1
3,5-dihydroxyphenylglycine	1	amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols		2007	2007	17.0	low	1
actinonin	1			2007	2007	17.0	low	1
vinpocetine	1	alkaloid	geroprotector	2007	2007	17.0	low	1
dihydroergocristine monomesylate	1	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent	2007	2007	17.0	low	1
tretinoin	1	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule	2007	2007	17.0	low	1
resveratrol	1	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger	2007	2007	17.0	low	1
oleic acid	1	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent	2007	2007	17.0	low	1
thapsigargin	1	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor	2007	2007	17.0	low	1
brivudine	1			2007	2007	17.0	low	1
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol	1	carbotetracyclic compound; polyphenol	estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent	2007	2007	17.0	low	1
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid	1			2007	2007	17.0	medium	1
adenosine-5'-(n-ethylcarboxamide)	1	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent	2007	2007	17.0	low	1
L-cycloserine	1	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor	2007	2007	17.0	low	1
1,4-dideoxy-1,4-imino-d-arabinitol	1			2007	2007	17.0	low	1
purvalanol a	1	purvalanol		2007	2007	17.0	low	1
melphalan	1	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent	2007	2007	17.0	low	1
isoliquiritigenin	1	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist	2007	2007	17.0	low	1
rauwolscine	1	methyl 17-hydroxy-20xi-yohimban-16-carboxylate		2007	2007	17.0	low	1
gw9662	1	benzamides		2007	2007	17.0	low	1
calmidazolium	1	organic chloride salt	apoptosis inducer; calmodulin antagonist	2007	2007	17.0	low	1
tropisetron hydrochloride	1			2007	2007	17.0	medium	1
Reactive blue 2	1	anthraquinone		2007	2007	17.0	medium	1
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one	1	dichlorobenzene		2007	2007	17.0	low	1
quinidine sulfate	1			2007	2007	17.0	medium	1
ipratropium bromide anhydrous	1			2007	2007	17.0	low	1
methamilane methiodide	1			2007	2007	17.0	medium	1
pilocarpine nitrate	1			2007	2007	17.0	low	1
r 59949	1	diarylmethane		2007	2007	17.0	low	1
n(6)-cyclopentyladenosine	1			2007	2007	17.0	low	1
methylatropine nitrate	1			2007	2007	17.0	low	1
sb 366791	1			2007	2007	17.0	low	1
ag-213	1			2007	2007	17.0	low	1
3,3',4,5'-tetrahydroxystilbene	1	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor	2007	2007	17.0	low	1
bemesetron	1			2007	2007	17.0	low	1
(S)-(-)-pindolol	1	pindolol		2007	2007	17.0	low	1
levosulpiride	1	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist	2007	2007	17.0	low	1
caffeic acid	1	caffeic acid	geroprotector; mouse metabolite	2007	2007	17.0	low	1
4-fluorophenyl-L-alanine	1	4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid		2007	2007	17.0	low	1
urocanic acid	1	urocanic acid	human metabolite	2007	2007	17.0	low	1
cotinine	1	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite	2007	2007	17.0	low	1
cinnarizine	1	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist	2007	2007	17.0	low	1
sulindac	1	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent	2007	2007	17.0	low	1
cysteine sulfinic acid	1	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite	2007	2007	17.0	low	1
d-ap7	1			2007	2007	17.0	medium	1
(1R,2S)-tranylcypromine hydrochloride	1	hydrochloride		2007	2007	17.0	low	1
tacrine hydrochloride	1			2007	2007	17.0	low	1
4-bromotetramisole, oxalate (1:1), salt(s)-isomer	1			2007	2007	17.0	medium	1
3-hydroxybenzylhydrazine hydrochloride	1			2007	2007	17.0	medium	1
1-(3-chlorophenyl)biguanide hydrochloride	1			2007	2007	17.0	medium	1
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer	1			2007	2007	17.0	medium	1
capsazepine	1	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist	2007	2007	17.0	low	1
diphenyleneiodium chloride	1	organic chloride salt	EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist	2007	2007	17.0	low	1
azetidine-2,4-dicarboxylic acid, (cis)-isomer	1			2007	2007	17.0	medium	1
tamoxifen citrate	1	citrate salt	angiogenesis inhibitor; anticoronaviral agent	2007	2007	17.0	low	1
pimagedine hydrochloride	1			2007	2007	17.0	medium	1
Betaine Aldehyde Chloride	1	quaternary ammonium salt		2007	2007	17.0	medium	1
eskazine	1			2007	2007	17.0	low	1
monastrol	1	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor	2007	2007	17.0	low	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	2007	2007	17.0	low	1
4-diphenylacetoxy-n-methylpiperidine methiodide	1	iodide salt; quaternary ammonium salt	cholinergic antagonist; muscarinic antagonist	2007	2007	17.0	low	1
1-(4-hydroxybenzyl)imidazole-2-thiol	1			2007	2007	17.0	low	1
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide	1			2007	2007	17.0	low	1
bp 897	1	naphthalenecarboxamide		2007	2007	17.0	low	1
trequinsin hydrochloride	1			2007	2007	17.0	low	1
neboglamine	1			2007	2007	17.0	low	1
benzatropine methanesulfonate	1			2007	2007	17.0	medium	1
sb 203186	1	indolyl carboxylic acid		2007	2007	17.0	medium	1
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea	1	1,2-thiazoles; indoles; ureas	receptor modulator; serotonergic antagonist	2007	2007	17.0	low	1
gw 7647	1	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist	2007	2007	17.0	low	1
ro 41-0960	1			2007	2007	17.0	low	1
cgp 13501	1	alkylbenzene		2007	2007	17.0	low	1
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide	1			2007	2007	17.0	low	1
brl 15572	1	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist	2007	2007	17.0	low	1
mrs 1523	1			2007	2007	17.0	low	1
or486	1			2007	2007	17.0	low	1
fg 9041	1	quinoxaline derivative		2007	2007	17.0	low	1
iik7	1			2007	2007	17.0	low	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	2007	2007	17.0	low	1
dm 235	1			2007	2007	17.0	low	1
jhw 015	1	indolecarboxamide		2007	2007	17.0	low	1
bw 723c86	1	tryptamines		2007	2007	17.0	low	1
sc 560	1	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug	2007	2007	17.0	low	1
sc-19220	1	aromatic ether		2007	2007	17.0	low	1
le 300	1	indoles		2007	2007	17.0	low	1
ly 367265	1	dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline	antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor	2007	2007	17.0	low	1
diclofenac sodium	1	organic sodium salt		2007	2007	17.0	low	1
cgp 7930	1	alkylbenzene		2007	2007	17.0	low	1
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	1	phenols; pyrazoles	estrogen receptor agonist	2007	2007	17.0	low	1
sib 1757	1			2007	2007	17.0	low	1
sphingosine	1	sphing-4-enine	human metabolite; mouse metabolite	2007	2007	17.0	low	1
apigenin	1	trihydroxyflavone	antineoplastic agent; metabolite	2007	2007	17.0	low	1
luteolin	1	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist	2007	2007	17.0	low	1
daphnetin	1	hydroxycoumarin		2007	2007	17.0	low	1
genistein	1	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor	2007	2007	17.0	low	1
pulmicort	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen	2007	2007	17.0	low	1
timolol maleate	1	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist	2007	2007	17.0	low	1
brompheniramine maleate	1	maleate salt	anti-allergic agent	2007	2007	17.0	low	1
chlorpheniramine maleate	1	organic molecular entity		2007	2007	17.0	low	1
clemastine fumarate	1	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist	2007	2007	17.0	low	1
methylergonovine maleate	1	ergoline alkaloid	geroprotector	2007	2007	17.0	medium	1
astaxanthine	1	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite	2007	2007	17.0	low	1
harman	1	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite	2007	2007	17.0	low	1
morin	1	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent	2007	2007	17.0	low	1
myricetin	1	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite	2007	2007	17.0	low	1
daidzein	1	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite	2007	2007	17.0	low	1
caffeic acid phenethyl ester	1	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent	2007	2007	17.0	low	1
rottlerin	1	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite	2007	2007	17.0	low	1
flupenthixol	1	flupenthixol	dopaminergic antagonist	2007	2007	17.0	low	1
n-oleoyldopamine	1	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist	2007	2007	17.0	low	1
pheniramine maleate	1	organic molecular entity		2007	2007	17.0	low	1
tranilast	1	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent	2007	2007	17.0	low	1
trimipramine maleate	1	maleate salt	antidepressant	2007	2007	17.0	low	1
isotretinoin	1	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent	2007	2007	17.0	low	1
xylometazoline hydrochloride	1			2007	2007	17.0	low	1
flunarizine hydrochloride	1	diarylmethane		2007	2007	17.0	low	1
ketotifen fumarate	1	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist	2007	2007	17.0	low	1
cis-flupenthixol dihydrochloride	1	hydrochloride	geroprotector	2007	2007	17.0	medium	1
n-arachidonylglycine	1	fatty amide; N-acylglycine		2007	2007	17.0	low	1
n-oleoylethanolamine	1	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist	2007	2007	17.0	low	1
cyclosporine	1	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite	2007	2007	17.0	low	1
phenoxybenzamine hydrochloride	1	organic molecular entity		2007	2007	17.0	low	1
phenylephrine hydrochloride	1	hydrochloride		2007	2007	17.0	low	1
mepyramine maleate	1			2007	2007	17.0	low	1
brefeldin a	1	macrolide antibiotic	Penicillium metabolite	2007	2007	17.0	low	1
fenretinide	1	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant	2007	2007	17.0	low	1
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid	1	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent	2007	2007	17.0	low	1
l-2-(carboxypropyl)glycine	1			2007	2007	17.0	low	1
4-aminocrotonic acid	1			2007	2007	17.0	low	1
denopamine	1	dimethoxybenzene		2007	2007	17.0	low	1
l 655,708	1			2007	2007	17.0	low	1
ro 41-1049	1			2007	2007	17.0	low	1
sb 200646a	1			2007	2007	17.0	medium	1
seglitide	1			2007	2007	17.0	low	1
sib 1893	1			2007	2007	17.0	low	1
su 6656	1			2007	2007	17.0	low	1
tyrphostin ag 555	1			2007	2007	17.0	low	1
tyrphostin ag-494	1			2007	2007	17.0	low	1
tyrphostin b44	1			2007	2007	17.0	low	1
ag-490	1	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor	2007	2007	17.0	low	1
ag 112	1			2007	2007	17.0	low	1
ag 183	1			2007	2007	17.0	low	1
semaxinib	1	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	2007	2007	17.0	low	1
8-(3-chlorostyryl)caffeine	1	monochlorobenzenes; trimethylxanthine	adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor	2007	2007	17.0	low	1
bay 11-7085	1	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor	2007	2007	17.0	low	1
molsidomine	1	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent	2007	2007	17.0	low	1
diamide	1	1,1'-azobis(N,N-dimethylformamide)		2007	2007	17.0	low	1
nomifensine maleate	1			2007	2007	17.0	low	1
nalbuphine hydrochloride	1	hydrochloride		2007	2007	17.0	low	1
isoalloxazine	1	benzo[g]pteridine-2,4-dione		2007	2007	17.0	low	1
vinblastine sulfate	1			2007	2007	17.0	low	1
n-methylscopolamine bromide	1			2007	2007	17.0	low	1
dextromethorphan hydrobromide	1	hydrate; hydrobromide		2007	2007	17.0	low	1
naloxone hydrochloride	1	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist	2007	2007	17.0	low	1
s-trans,trans-farnesylthiosalicylic acid	1	sesquiterpenoid		2007	2007	17.0	low	1
sulindac sulfone	1	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor	2007	2007	17.0	low	1
naltrexone hydrochloride	1	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist	2007	2007	17.0	low	1
guanabenz acetate	1	dichlorobenzene	geroprotector	2007	2007	17.0	low	1
nylidrin hydrochloride	1	alkylbenzene		2007	2007	17.0	low	1
triprolidine hydrochloride anhydrous	1	hydrochloride	H1-receptor antagonist	2007	2007	17.0	low	1
famotidine	1	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor	2007	2007	17.0	low	1
fenoterol	1	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent	2007	2007	17.0	low	1
tiapridex	1	benzamides		2007	2007	17.0	low	1
quipazine maleate	1			2007	2007	17.0	low	1
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride	1			2007	2007	17.0	low	1
tulobuterol hydrochloride	1	organic molecular entity		2007	2007	17.0	low	1
hp 029	1			2007	2007	17.0	low	1
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide	1			2007	2007	17.0	medium	1
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one	1	naphthalenes		2007	2007	17.0	low	1
nf023	1			2007	2007	17.0	medium	1
nf 449	1			2007	2007	17.0	medium	1
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine	1			2007	2007	17.0	low	1
gr 46611	1			2007	2007	17.0	low	1
diacetylmonoxime	1			2007	2007	17.0	low	1
homatropine hydrobromide, (endo-(+-)-isomer)	1			2007	2007	17.0	low	1
vancomycin hydrochloride	1			2007	2007	17.0	low	1
moxisylyte hydrochloride	1	monoterpenoid		2007	2007	17.0	low	1
dizocilpine maleate	1	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist	2007	2007	17.0	low	1
beta-aminopropionitrile fumarate	1			2007	2007	17.0	low	1
flupirtine	1			2007	2007	17.0	low	1
zimelidine hydrochloride	1			2007	2007	17.0	medium	1
pregna-4,17-diene-3,16-dione, (17z)-isomer	1			2007	2007	17.0	low	1
su 4312	1			2007	2007	17.0	low	1
gw 1929	1	benzophenones		2007	2007	17.0	low	1
protriptyline hydrochloride	1	hydrochloride	antidepressant	2007	2007	17.0	low	1
n(4)-chloroacetylcytosine arabinoside	1			2007	2007	17.0	low	1
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide	1			2007	2007	17.0	low	1
n-(4-amino-2-chlorophenyl)phthalimide	1			2007	2007	17.0	low	1
cb 34	1			2007	2007	17.0	low	1
b 43	1	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector	2007	2007	17.0	low	1
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	1	aporphine alkaloid		2007	2007	17.0	low	1
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	1	aporphine alkaloid		2007	2007	17.0	low	1
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane	1			2007	2007	17.0	medium	1
2-(3,3-diphenylpropylamino)acetamide	1	diarylmethane		2007	2007	17.0	low	1
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide	1			2007	2007	17.0	low	1
gw2974	1	pyridopyrimidine		2007	2007	17.0	low	1
l 162313	1			2007	2007	17.0	low	1
l-165041	1	aromatic ketone		2007	2007	17.0	low	1
mrs 1754	1	oxopurine		2007	2007	17.0	low	1
s-nitroso-n-acetylpenicillamine	1	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent	2007	2007	17.0	low	1
pd 404182	1			2007	2007	17.0	medium	1
sb 222200	1	quinolines		2007	2007	17.0	low	1
dantrolene sodium	1			2007	2007	17.0	low	1
cr 2945	1			2007	2007	17.0	low	1
sb 218795	1	quinolines		2007	2007	17.0	low	1
dihydroceramide	1	N-acylsphinganine		2007	2007	17.0	medium	1
epinephrine bitartrate	1			2007	2007	17.0	low	1
bicuculline methobromide	1			2007	2007	17.0	low	1
butylscopolammonium bromide	1			2007	2007	17.0	low	1
butaclamol hydrochloride	1			2007	2007	17.0	low	1
a 38503	1			2007	2007	17.0	low	1
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide	1			2007	2007	17.0	low	1
sk&f 89976-a	1			2007	2007	17.0	low	1
cv 1808	1	purine nucleoside		2007	2007	17.0	low	1
fluvoxamine maleate	1	(trifluoromethyl)benzenes		2007	2007	17.0	low	1
naloxone benzoylhydrazone	1			2007	2007	17.0	low	1
2-methyl-6-(phenylethynyl)pyridine hydrochloride	1	hydrochloride	anxiolytic drug; metabotropic glutamate receptor antagonist	2007	2007	17.0	low	1
amiprilose	1			2007	2007	17.0	medium	1
(R)-fluoxetine hydrochloride	1	hydrochloride	antidepressant; serotonin uptake inhibitor	2007	2007	17.0	medium	1
desmethylselegiline hydrochloride	1			2007	2007	17.0	medium	1
3-morpholino-sydnonimine monohydrochloride	1			2007	2007	17.0	low	1
t 1032	1			2007	2007	17.0	low	1
qx-314 bromide	1			2007	2007	17.0	medium	1
(S)-fluoxetine hydrochloride	1	hydrochloride	antidepressant; serotonin uptake inhibitor	2007	2007	17.0	medium	1
sr 59230a	1			2007	2007	17.0	low	1
u 74389g	1			2007	2007	17.0	medium	1
1-(2-methoxyphenyl)piperazine hydrochloride	1			2007	2007	17.0	low	1
y 27632, dihydrochloride, (4(r)-trans)-isomer	1			2007	2007	17.0	medium	1
noscapine hydrochloride	1			2007	2007	17.0	medium	1
a 77636	1	hydrochloride	antiparkinson drug; dopamine agonist	2007	2007	17.0	medium	1
cgp 20712a	1			2007	2007	17.0	low	1
levodopa methyl ester hydrochloride	1			2007	2007	17.0	low	1
benalfocin hydrochloride	1			2007	2007	17.0	medium	1
lu 19005	1			2007	2007	17.0	medium	1
benoxathian hydrochloride	1			2007	2007	17.0	medium	1
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer	1			2007	2007	17.0	low	1
n-cyclopropyl adenosine-5'-carboxamide	1			2007	2007	17.0	low	1
cefotaxime sodium	1	organic sodium salt		2007	2007	17.0	low	1
calpain inhibitor iii	1			2007	2007	17.0	low	1
GR 127935 hydrochloride	1	hydrochloride	serotonergic antagonist	2007	2007	17.0	medium	1
mrs 1845	1			2007	2007	17.0	low	1
1-aminocyclopropane-1-carboxylic acid hydrochloride	1			2007	2007	17.0	medium	1
alaproclate hydrochloride	1			2007	2007	17.0	medium	1
ubenimex	1	peptide		2007	2007	17.0	low	1
3-chloroalanine hydrochloride, (l-ala)-isomer	1			2007	2007	17.0	medium	1
dsp 4 hydrochloride	1			2007	2007	17.0	medium	1
calcimycin	1	benzoxazole		2007	2007	17.0	low	1
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride	1	hydrochloride	alpha-adrenergic antagonist	2007	2007	17.0	low	1
2-cyclooctyl-2-hydroxyethylamine hydrochloride	1			2007	2007	17.0	medium	1
cirazoline monohydrochloride	1			2007	2007	17.0	medium	1
adtn	1			2007	2007	17.0	medium	1
apocodeine hydrochloride, (r)-isomer	1			2007	2007	17.0	medium	1
Dihydro-beta-erythroidine hydrobromide	1	indoles		2007	2007	17.0	medium	1
lilly 78335	1			2007	2007	17.0	medium	1
efaroxan hydrochloride	1			2007	2007	17.0	low	1
fenoldopam hydrobromide	1			2007	2007	17.0	low	1
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride	1	hydrochloride	dopamine uptake inhibitor	2007	2007	17.0	medium	1
guvacine hydrochloride	1			2007	2007	17.0	medium	1
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide	1			2007	2007	17.0	low	1
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,	1	organic molecular entity		2007	2007	17.0	low	1
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one	1	hydrochloride	receptor modulator; serotonergic antagonist	2007	2007	17.0	low	1
4-iodoclonidine	1			2007	2007	17.0	medium	1
4-methylpyrazole monohydrochloride	1			2007	2007	17.0	low	1
tele-methylhistamine	1			2007	2007	17.0	medium	1
alpha-methyltyrosine methyl ester, monohydrochloride	1			2007	2007	17.0	medium	1
octoclothepine maleate	1			2007	2007	17.0	low	1
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride	1			2007	2007	17.0	low	1
du 24565	1			2007	2007	17.0	medium	1
2-methoxyidazoxan hydrochloride	1			2007	2007	17.0	medium	1
ro 25-6981	1			2007	2007	17.0	medium	1
sk&f 77434	1	hydrobromide	dopamine agonist; prodrug	2007	2007	17.0	low	1
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea	1	organic heterotetracyclic compound; organonitrogen heterocyclic compound		2007	2007	17.0	medium	1
demethylcantharidin	1			2007	2007	17.0	low	1
atropine sulfate	1			2007	2007	17.0	low	1
1-deoxynojirimycin hydrochloride	1			2007	2007	17.0	medium	1
win 62577	1			2007	2007	17.0	medium	1
quinine sulfate	1	hydrate		2007	2007	17.0	low	1
quercetin	1			2007	2007	17.0	low	1
rv 538, (r-(r,r))-isomer	1			2007	2007	17.0	medium	1
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer	1			2007	2007	17.0	medium	1
valproate sodium	1	organic sodium salt	geroprotector	2007	2007	17.0	low	1
u 63557a	1			2007	2007	17.0	low	1
taurocholic acid, monosodium salt	1	bile salt		2007	2007	17.0	medium	1
cefmetazole sodium	1	organic sodium salt	antimicrobial agent	2007	2007	17.0	low	1
fusidate sodium	1			2007	2007	17.0	medium	1
cephapirin sodium	1	cephalosporin; organic sodium salt	antibacterial drug	2007	2007	17.0	low	1
sodium cephalothin	1	organic sodium salt		2007	2007	17.0	low	1
cefazolin sodium	1	organic sodium salt		2007	2007	17.0	low	1
5-hydroxydecanoic acid, monosodium salt	1			2007	2007	17.0	medium	1
ro13-9904	1			2007	2007	17.0	low	1
phenytoin sodium	1			2007	2007	17.0	low	1
cr 1409	1			2007	2007	17.0	low	1
cortisol succinate, sodium salt	1	organic molecular entity		2007	2007	17.0	low	1
piroxicam	1	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug	2007	2007	17.0	low	1
lfm a13	1	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor	2007	2007	17.0	low	1
l 701324	1	quinolines		2007	2007	17.0	low	1
hispidin	1	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite	2007	2007	17.0	low	1
minocycline hydrochloride	1			2007	2007	17.0	low	1
demeclocycline hydrochloride	1			2007	2007	17.0	low	1
acyclovir	1	2-aminopurines; oxopurine	antimetabolite; antiviral drug	2007	2007	17.0	low	1
sepiapterin	1	sepiapterin		2007	2007	17.0	low	1
clozapine	1	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic	2007	2007	17.0	low	1
ganciclovir	1	2-aminopurines; oxopurine	antiinfective agent; antiviral drug	2007	2007	17.0	low	1
zaprinast	1	triazolopyrimidines		2007	2007	17.0	low	1
allopurinol	1	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger	2007	2007	17.0	low	1
thiolactomycin	1			2007	2007	17.0	low	1
2,4-diaminohypoxanthine	1	hydroxypyrimidine		2007	2007	17.0	low	1
quazinone	1			2007	2007	17.0	low	1
8-bromocyclic gmp, sodium salt	1	organic sodium salt	muscle relaxant; protein kinase G agonist	2007	2007	17.0	medium	1
ag-879	1			2007	2007	17.0	low	1

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	pre-1990	1990's	2000's	2010's
5-hydroxytryptophan	1	hydroxytryptophan	human metabolite; neurotransmitter	1980	1980	44.0	low	1	0	0	0
cytosine	2	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	2007	2009	16.0	low	0	0	2	0
n-acetylserotonin	1	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist	1980	1980	44.0	low	1	0	0	0
pteridines	10	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines		1980	2011	31.7	low	5	3	1	1
thymine	2	pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite	2007	2009	16.0	low	0	0	2	0
uric acid	1	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite	1996	1996	28.0	low	0	1	0	0
xanthine	1	xanthine	Saccharomyces cerevisiae metabolite	1996	1996	28.0	low	0	1	0	0
hydroxyindoleacetic acid	1	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite	1980	1980	44.0	low	1	0	0	0
halothane	1	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic	1991	1991	33.0	low	0	1	0	0
tyrosine	1	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical	2003	2003	21.0	low	0	0	1	0
egtazic acid	1	diether; tertiary amino compound; tetracarboxylic acid	chelator	2000	2000	24.0	low	0	1	0	0
tryptophan	1	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite	2014	2014	10.0	low	0	0	0	1
hydroxytryptophol	1	indoles		1980	1980	44.0	low	1	0	0	0
lumazine	1	2,4-dihydroxypteridine		1988	1988	36.0	low	1	0	0	0
9-amino-6-chloro-2-methoxyacridine	1			2019	2019	5.0	low	0	0	0	1
silver	2	copper group element atom; elemental silver	Escherichia coli metabolite	2011	2011	13.0	low	0	0	0	2
gold	1	copper group element atom; elemental gold		2011	2011	13.0	low	0	0	0	1
glutamic acid	1	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical	2000	2000	24.0	low	0	1	0	0
leupeptin	1	aldehyde; tripeptide	bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor	2000	2000	24.0	low	0	1	0	0
leupeptins	1			2000	2000	24.0	low	0	1	0	0
dizocilpine maleate	1	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist	2000	2000	24.0	low	0	1	0	0
sepiapterin	3	sepiapterin		1988	2011	23.3	low	1	0	1	1
7,8-dihydroneopterin	1	dihydropterin; neopterins	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	1988	1988	36.0	low	1	0	0	0
guanosine triphosphate	1	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor	2003	2003	21.0	low	0	0	1	0
hypoxanthine	1	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite	1996	1996	28.0	low	0	1	0	0
sapropterin	4	5,6,7,8-tetrahydrobiopterin	coenzyme; cofactor; diagnostic agent; human metabolite	1988	1997	30.2	low	1	3	0	0
folic acid	1	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient	1988	1988	36.0	low	1	0	0	0
2-amino-4-hydroxypteridine	2	2-amino-4-hydroxypteridine; pterin		1988	2011	24.5	medium	1	0	0	1
7,8-dihydrobiopterin	1	7,8-dihydrobiopterin		1988	1988	36.0	low	1	0	0	0
neopterin	9			1980	2019	30.0	low	4	3	0	2
allopurinol	6	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger	1988	2005	26.7	low	1	3	2	0
xanthopterin	41			1950	2020	29.9	high	14	9	8	10
2-amino-4-hydroxy-6-formylpteridine	2	aldehyde; pterins	EC 1.17.3.2 (xanthine oxidase) inhibitor; reactive oxygen species generator	1980	1985	41.5	low	2	0	0	0
6-hydroxymethylpterin	2			1985	1991	36.0	medium	1	1	0	0
6-methyltetrahydropterin	1	pterins		1988	1988	36.0	low	1	0	0	0
primapterin	2	biopterins	metabolite	1994	2012	21.0	medium	0	1	0	1
molybdenum cofactor	1	Mo-molybdopterin cofactor; organophosphate oxoanion		1996	1996	28.0	low	0	1	0	0
concanavalin a	1			1985	1985	39.0	low	1	0	0	0
pyrimidinones	1			2009	2009	15.0	low	0	0	1	0

Condition	Studies	First Year	Last Year	Average Age	Relationship Strength	pre-1990	1990's	2000's	2010's
Airflow Obstruction, Chronic	1	2005	2005	19.0	low	0	0	1	0
Anemia, Fanconi	1	2016	2016	8.0	low	0	0	0	1
Benign Neoplasms	2	1981	2007	30.0	low	1	0	1	0
BH4 Deficiency	3	1994	2019	15.7	low	0	1	0	2
Bladder Cancer	1	2014	2014	10.0	low	0	0	0	1
Breast Cancer	1	2005	2005	19.0	low	0	0	1	0
Breast Neoplasms	1	2005	2005	19.0	low	0	0	1	0
Cancer of Ovary	1	1981	1981	43.0	low	1	0	0	0
Cancer of Stomach	1	2010	2010	14.0	low	0	0	1	0
Carcinoma	1	1981	1981	43.0	low	1	0	0	0
Carcinoma, Anaplastic	1	1981	1981	43.0	low	1	0	0	0
Congenital Zika Syndrome	1	2020	2020	4.0	low	0	0	0	1
Contact Dermatitis	1	2019	2019	5.0	low	0	0	0	1
Deficiency, Glucosephosphatase	1	1996	1996	28.0	low	0	1	0	0
Dermatitis, Contact	1	2019	2019	5.0	low	0	0	0	1
Disease Models, Animal	2	2019	2020	4.5	low	0	0	0	2
Fanconi Anemia	1	2016	2016	8.0	low	0	0	0	1
Glycogen Storage Disease Type I	1	1996	1996	28.0	low	0	1	0	0
Gout	1	1996	1996	28.0	low	0	1	0	0
Hepatitis C	1	1996	1996	28.0	low	0	1	0	0
Hepatitis, Viral, Non-A, Non-B, Parenterally-Transmitted	1	1996	1996	28.0	low	0	1	0	0
Inborn Errors of Metabolism	1	1996	1996	28.0	low	0	1	0	0
Injury, Ischemia-Reperfusion	1	1992	1992	32.0	low	0	1	0	0
Itching	1	2019	2019	5.0	low	0	0	0	1
Malaria, Falciparum	1	2014	2014	10.0	low	0	0	0	1
Malignant Melanoma	1	1988	1988	36.0	low	1	0	0	0
Melanoma	1	1988	1988	36.0	low	1	0	0	0
Metabolism, Inborn Errors	1	1996	1996	28.0	low	0	1	0	0
Neoplasms	2	1981	2007	30.0	low	1	0	1	0
Neuroblastoma	1	1983	1983	41.0	low	1	0	0	0
Ovarian Neoplasms	1	1981	1981	43.0	low	1	0	0	0
Phenylketonurias	3	1994	2019	15.7	low	0	1	0	2
Plasmodium falciparum Malaria	1	2014	2014	10.0	low	0	0	0	1
Pregnancy	2	1994	1996	29.0	low	0	2	0	0
Pruritus	1	2019	2019	5.0	low	0	0	0	1
Pulmonary Disease, Chronic Obstructive	1	2005	2005	19.0	low	0	0	1	0
Reperfusion Injury	1	1992	1992	32.0	low	0	1	0	0
Sensitivity and Specificity	2	2007	2010	15.5	low	0	0	2	0
Stomach Neoplasms	1	2010	2010	14.0	low	0	0	1	0
Swine Diseases	1	1991	1991	33.0	low	0	1	0	0
Urinary Bladder Neoplasms	1	2014	2014	10.0	low	0	0	0	1
Zika Virus Infection	1	2020	2020	4.0	low	0	0	0	1

Safety/Toxicity (1)

Article	Year
Cytotoxicity of xanthopterin and isoxanthopterin in MCF-7 cells. Cancer letters, , May-10, Volume: 222, Issue:1	2005

isoxanthopterin

Description

Cross-References

Synonyms (76)

Drug Classes (1)

Protein Targets (13)

Potency Measurements

Bioassays (31)

Research

Studies (55)

Study Types

Related Drugs (961)

Drugs Involved in Assays Together (930)

Drugs Researched Together (39)

Related Conditions (42)

Safety/Toxicity (1)