o(6)-benzylguanine profile

O(6)-benzylguanine: a suicide inhibitor of O(6)-methylguanine-DNA methyltransferase activity [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	4578
CHEMBL ID	407874
SCHEMBL ID	61740
MeSH ID	M0178846

Synonym
AC-1076
chembl407874 ,
o6-substituted guanine deriv. 31
bdbm5491
6-(benzyloxy)-9h-purin-2-amine
o6-benzylguanine
purine, 8ci)
2-amino-6-(benzyloxy)purine
nsc637037
19916-73-5
6-benzyloxyguanine
nsc-637037
1h-purin-2-amine, 6-(phenylmethoxy)-
2-amino-6-(phenylmethoxy)-9h-purine
6-o-benzylguanine
purine, 2-amino-6-(benzyloxy)- (, )
6-(benzyloxy)-7h-purin-2-amine
6-(benzyloxy)-7h-purin-2-ylamine
6-benzyloxy-7h-purin-2-amine
NCI60_012280
EU-0100181
o6-benzylguanine, >=98% (tlc), solid
purine, 2-amino-6-(benzyloxy)-
nsc 637037
o(6)-benzylguanine
6-(benzyloxy)guanine
6-(phenylmethoxy)-1h-purin-2-amine
o(6)-bgua
NCGC00015144-01
lopac-b-2292
LOPAC0_000181
smr000326791
MLS000859930
NCGC00093660-01
NCGC00093660-02
MLS001074887
NCGC00015144-02
B 2292
NCGC00015144-04
OBG ,
FT-0650712
6-phenylmethoxy-7h-purin-2-amine
HMS3260F03
2-amino-6-benzyloxypurine
CCG-204276
AKOS015919415
HMS2234P23
S3658
AKOS015963409
NCGC00015144-03
unii-01kc87f8fe
01kc87f8fe ,
ccris 9383
o6-bg
AM20060538
LP00181
o6-benzylguanine [who-dd]
9h-purin-2-amine, 6-(phenylmethoxy)-
HMS3369A16
SCHEMBL61740
MLS006010145
6-benzylguanine
6-benzyloxy-9h-purin-2-amine
0.4 ch3oh
KS-5281
SY008080
mfcd00269931
NCGC00260866-01
tox21_500181
2-amino-6-benzyloxy-9h-purine
o6 -benzylguanine
6-benzyloxy-2-amino-purine
KRWMERLEINMZFT-UHFFFAOYSA-N
W-201741
krx-0402
1000874-21-4
DTXSID20173700
CS-W002585
sr-01000075709
SR-01000075709-1
DB11919
6-(benzyloxy)-1h-purin-2-amine
BCP08777
Q7072275
SB17232
SDCCGSBI-0050169.P002
NCGC00015144-08
HY-W002585
o6-benzylguanine- bio-x
BB164163
GLXC-25126
o6bg

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
ATAD5 protein, partial	Homo sapiens (human)	Potency	18.3489	0.0041	10.8903	31.5287	AID493106
NFKB1 protein, partial	Homo sapiens (human)	Potency	5.6234	0.0282	7.0559	15.8489	AID895; AID928
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	5.0119	0.0013	18.0743	39.8107	AID926
EWS/FLI fusion protein	Homo sapiens (human)	Potency	22.8464	0.0013	10.1577	42.8575	AID1259252; AID1259253; AID1259255; AID1259256
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	23.7101	0.0015	30.6073	15,848.9004	AID1224821
67.9K protein	Vaccinia virus	Potency	28.1838	0.0001	8.4406	100.0000	AID720580
arylsulfatase A	Homo sapiens (human)	Potency	0.0338	1.0691	13.9551	37.9330	AID720538
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	0.0336	0.0355	20.9770	89.1251	AID504332
Bloom syndrome protein isoform 1	Homo sapiens (human)	Potency	0.0158	0.5406	17.6392	96.1227	AID2364; AID2528
cytochrome P450 2D6 isoform 1	Homo sapiens (human)	Potency	0.5012	0.0020	7.5337	39.8107	AID891
peripheral myelin protein 22 isoform 1	Homo sapiens (human)	Potency	42.5615	23.9341	23.9341	23.9341	AID1967
cytochrome P450 2C19 precursor	Homo sapiens (human)	Potency	6.3096	0.0025	5.8400	31.6228	AID899
cytochrome P450 2C9 precursor	Homo sapiens (human)	Potency	39.8107	0.0063	6.9043	39.8107	AID883
chromobox protein homolog 1	Homo sapiens (human)	Potency	89.1251	0.0060	26.1688	89.1251	AID540317
transcriptional regulator ERG isoform 3	Homo sapiens (human)	Potency	11.2202	0.7943	21.2757	50.1187	AID624246
geminin	Homo sapiens (human)	Potency	9.2700	0.0046	11.3741	33.4983	AID624296; AID624297
cytochrome P450 3A4 isoform 1	Homo sapiens (human)	Potency	7.9433	0.0316	10.2792	39.8107	AID884; AID885
lamin isoform A-delta10	Homo sapiens (human)	Potency	19.9526	0.8913	12.0676	28.1838	AID1487
Gamma-aminobutyric acid receptor subunit pi	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-1	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit delta	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-5	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-3	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-1	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-2	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-4	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-3	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-6	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Histamine H2 receptor	Cavia porcellus (domestic guinea pig)	Potency	39.8107	0.0063	8.2350	39.8107	AID883
Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-3	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
GABA theta subunit	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit epsilon	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
ATP-dependent phosphofructokinase	Trypanosoma brucei brucei TREU927	Potency	33.8078	0.0601	10.7453	37.9330	AID485368
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Myeloperoxidase	Homo sapiens (human)	IC50 (µMol)	13.0000	0.0200	1.8811	7.6800	AID1416577
Cyclin-dependent kinase 1	Homo sapiens (human)	IC50 (µMol)	24.0000	0.0004	1.3452	10.0000	AID320943; AID53352
G2/mitotic-specific cyclin-B1	Homo sapiens (human)	IC50 (µMol)	24.0000	0.0013	1.4518	10.0000	AID320943; AID53352
G2/mitotic-specific cyclin-B	Marthasterias glacialis (spiny starfish)	IC50 (µMol)	27.6667	0.0040	2.1093	9.4000	AID1795776
Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)	IC50 (µMol)	0.5196	0.0030	0.3779	2.6000	AID106501; AID147467; AID147468; AID147600; AID31150; AID31154; AID702534
Cyclin-A2	Homo sapiens (human)	IC50 (µMol)	29.5000	0.0004	1.0339	10.0000	AID1795776; AID53534
Cyclin-dependent kinase 2	Homo sapiens (human)	IC50 (µMol)	29.5000	0.0004	1.0444	10.0000	AID1795776; AID53534
Cyclin-A1	Homo sapiens (human)	IC50 (µMol)	35.0000	0.0005	1.4715	10.0000	AID53534
Cyclin-dependent kinase 1	Oryzias latipes (Japanese medaka)	IC50 (µMol)	27.6667	0.0040	2.1093	9.4000	AID1795776
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
dual specificity tyrosine-phosphorylation-regulated kinase 1A	Rattus norvegicus (Norway rat)	AC50	5.0500	0.0056	4.6932	26.6940	AID588345
Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)	ED50	168.1723	0.0200	0.6300	4.7000	AID147596; AID147597; AID147598; AID147599; AID31143; AID31146; AID31147; AID31148; AID31149; AID32854; AID32856; AID345684; AID345685
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
hydrogen peroxide catabolic process	Myeloperoxidase	Homo sapiens (human)
response to yeast	Myeloperoxidase	Homo sapiens (human)
hypochlorous acid biosynthetic process	Myeloperoxidase	Homo sapiens (human)
respiratory burst involved in defense response	Myeloperoxidase	Homo sapiens (human)
defense response	Myeloperoxidase	Homo sapiens (human)
response to oxidative stress	Myeloperoxidase	Homo sapiens (human)
response to mechanical stimulus	Myeloperoxidase	Homo sapiens (human)
removal of superoxide radicals	Myeloperoxidase	Homo sapiens (human)
response to food	Myeloperoxidase	Homo sapiens (human)
response to lipopolysaccharide	Myeloperoxidase	Homo sapiens (human)
low-density lipoprotein particle remodeling	Myeloperoxidase	Homo sapiens (human)
hydrogen peroxide catabolic process	Myeloperoxidase	Homo sapiens (human)
negative regulation of apoptotic process	Myeloperoxidase	Homo sapiens (human)
defense response to fungus	Myeloperoxidase	Homo sapiens (human)
response to gold nanoparticle	Myeloperoxidase	Homo sapiens (human)
defense response to bacterium	Myeloperoxidase	Homo sapiens (human)
G1/S transition of mitotic cell cycle	Cyclin-dependent kinase 1	Homo sapiens (human)
G2/M transition of mitotic cell cycle	Cyclin-dependent kinase 1	Homo sapiens (human)
microtubule cytoskeleton organization	Cyclin-dependent kinase 1	Homo sapiens (human)
DNA replication	Cyclin-dependent kinase 1	Homo sapiens (human)
DNA repair	Cyclin-dependent kinase 1	Homo sapiens (human)
chromatin remodeling	Cyclin-dependent kinase 1	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Cyclin-dependent kinase 1	Homo sapiens (human)
protein phosphorylation	Cyclin-dependent kinase 1	Homo sapiens (human)
apoptotic process	Cyclin-dependent kinase 1	Homo sapiens (human)
DNA damage response	Cyclin-dependent kinase 1	Homo sapiens (human)
mitotic nuclear membrane disassembly	Cyclin-dependent kinase 1	Homo sapiens (human)
centrosome cycle	Cyclin-dependent kinase 1	Homo sapiens (human)
pronuclear fusion	Cyclin-dependent kinase 1	Homo sapiens (human)
response to xenobiotic stimulus	Cyclin-dependent kinase 1	Homo sapiens (human)
response to toxic substance	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of gene expression	Cyclin-dependent kinase 1	Homo sapiens (human)
negative regulation of gene expression	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of G2/M transition of mitotic cell cycle	Cyclin-dependent kinase 1	Homo sapiens (human)
regulation of Schwann cell differentiation	Cyclin-dependent kinase 1	Homo sapiens (human)
response to amine	Cyclin-dependent kinase 1	Homo sapiens (human)
response to activity	Cyclin-dependent kinase 1	Homo sapiens (human)
cell migration	Cyclin-dependent kinase 1	Homo sapiens (human)
peptidyl-serine phosphorylation	Cyclin-dependent kinase 1	Homo sapiens (human)
peptidyl-threonine phosphorylation	Cyclin-dependent kinase 1	Homo sapiens (human)
chromosome condensation	Cyclin-dependent kinase 1	Homo sapiens (human)
epithelial cell differentiation	Cyclin-dependent kinase 1	Homo sapiens (human)
animal organ regeneration	Cyclin-dependent kinase 1	Homo sapiens (human)
protein localization to kinetochore	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of protein import into nucleus	Cyclin-dependent kinase 1	Homo sapiens (human)
regulation of circadian rhythm	Cyclin-dependent kinase 1	Homo sapiens (human)
negative regulation of apoptotic process	Cyclin-dependent kinase 1	Homo sapiens (human)
response to ethanol	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of DNA replication	Cyclin-dependent kinase 1	Homo sapiens (human)
regulation of embryonic development	Cyclin-dependent kinase 1	Homo sapiens (human)
response to cadmium ion	Cyclin-dependent kinase 1	Homo sapiens (human)
response to copper ion	Cyclin-dependent kinase 1	Homo sapiens (human)
symbiont entry into host cell	Cyclin-dependent kinase 1	Homo sapiens (human)
fibroblast proliferation	Cyclin-dependent kinase 1	Homo sapiens (human)
rhythmic process	Cyclin-dependent kinase 1	Homo sapiens (human)
response to axon injury	Cyclin-dependent kinase 1	Homo sapiens (human)
cell division	Cyclin-dependent kinase 1	Homo sapiens (human)
ventricular cardiac muscle cell development	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of cardiac muscle cell proliferation	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of mitotic sister chromatid segregation	Cyclin-dependent kinase 1	Homo sapiens (human)
protein-containing complex assembly	Cyclin-dependent kinase 1	Homo sapiens (human)
cellular response to hydrogen peroxide	Cyclin-dependent kinase 1	Homo sapiens (human)
ERK1 and ERK2 cascade	Cyclin-dependent kinase 1	Homo sapiens (human)
cellular response to organic cyclic compound	Cyclin-dependent kinase 1	Homo sapiens (human)
Golgi disassembly	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of protein localization to nucleus	Cyclin-dependent kinase 1	Homo sapiens (human)
regulation of attachment of mitotic spindle microtubules to kinetochore	Cyclin-dependent kinase 1	Homo sapiens (human)
microtubule cytoskeleton organization involved in mitosis	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of mitochondrial ATP synthesis coupled electron transport	Cyclin-dependent kinase 1	Homo sapiens (human)
mitotic G2 DNA damage checkpoint signaling	Cyclin-dependent kinase 1	Homo sapiens (human)
protein deubiquitination	Cyclin-dependent kinase 1	Homo sapiens (human)
G2/M transition of mitotic cell cycle	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
in utero embryonic development	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
mitotic spindle organization	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
mitotic metaphase chromosome alignment	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
positive regulation of G2/M transition of mitotic cell cycle	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
positive regulation of mitotic cell cycle	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
positive regulation of fibroblast proliferation	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
cell division	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
positive regulation of attachment of spindle microtubules to kinetochore	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
regulation of mitotic cell cycle spindle assembly checkpoint	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
positive regulation of mitochondrial ATP synthesis coupled electron transport	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
regulation of cyclin-dependent protein serine/threonine kinase activity	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
mitotic cell cycle phase transition	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
DNA ligation	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
DNA alkylation repair	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
methylation	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
negative regulation of apoptotic process	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
positive regulation of double-strand break repair	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
DNA repair	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
G1/S transition of mitotic cell cycle	Cyclin-A2	Homo sapiens (human)
G2/M transition of mitotic cell cycle	Cyclin-A2	Homo sapiens (human)
regulation of DNA replication	Cyclin-A2	Homo sapiens (human)
DNA-templated transcription	Cyclin-A2	Homo sapiens (human)
Ras protein signal transduction	Cyclin-A2	Homo sapiens (human)
animal organ regeneration	Cyclin-A2	Homo sapiens (human)
response to glucagon	Cyclin-A2	Homo sapiens (human)
cellular response to platelet-derived growth factor stimulus	Cyclin-A2	Homo sapiens (human)
post-translational protein modification	Cyclin-A2	Homo sapiens (human)
cellular response to leptin stimulus	Cyclin-A2	Homo sapiens (human)
cell cycle G1/S phase transition	Cyclin-A2	Homo sapiens (human)
positive regulation of DNA-templated transcription	Cyclin-A2	Homo sapiens (human)
positive regulation of fibroblast proliferation	Cyclin-A2	Homo sapiens (human)
cell division	Cyclin-A2	Homo sapiens (human)
cellular response to cocaine	Cyclin-A2	Homo sapiens (human)
cellular response to luteinizing hormone stimulus	Cyclin-A2	Homo sapiens (human)
cellular response to estradiol stimulus	Cyclin-A2	Homo sapiens (human)
cellular response to hypoxia	Cyclin-A2	Homo sapiens (human)
cellular response to nitric oxide	Cyclin-A2	Homo sapiens (human)
cochlea development	Cyclin-A2	Homo sapiens (human)
cellular response to insulin-like growth factor stimulus	Cyclin-A2	Homo sapiens (human)
positive regulation of DNA biosynthetic process	Cyclin-A2	Homo sapiens (human)
regulation of cyclin-dependent protein serine/threonine kinase activity	Cyclin-A2	Homo sapiens (human)
mitotic cell cycle phase transition	Cyclin-A2	Homo sapiens (human)
G1/S transition of mitotic cell cycle	Cyclin-dependent kinase 2	Homo sapiens (human)
G2/M transition of mitotic cell cycle	Cyclin-dependent kinase 2	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Cyclin-dependent kinase 2	Homo sapiens (human)
DNA replication	Cyclin-dependent kinase 2	Homo sapiens (human)
DNA repair	Cyclin-dependent kinase 2	Homo sapiens (human)
chromatin remodeling	Cyclin-dependent kinase 2	Homo sapiens (human)
DNA-templated transcription	Cyclin-dependent kinase 2	Homo sapiens (human)
protein phosphorylation	Cyclin-dependent kinase 2	Homo sapiens (human)
potassium ion transport	Cyclin-dependent kinase 2	Homo sapiens (human)
centriole replication	Cyclin-dependent kinase 2	Homo sapiens (human)
Ras protein signal transduction	Cyclin-dependent kinase 2	Homo sapiens (human)
regulation of mitotic cell cycle	Cyclin-dependent kinase 2	Homo sapiens (human)
positive regulation of cell population proliferation	Cyclin-dependent kinase 2	Homo sapiens (human)
peptidyl-serine phosphorylation	Cyclin-dependent kinase 2	Homo sapiens (human)
positive regulation of heterochromatin formation	Cyclin-dependent kinase 2	Homo sapiens (human)
mitotic G1 DNA damage checkpoint signaling	Cyclin-dependent kinase 2	Homo sapiens (human)
positive regulation of DNA-templated DNA replication initiation	Cyclin-dependent kinase 2	Homo sapiens (human)
telomere maintenance in response to DNA damage	Cyclin-dependent kinase 2	Homo sapiens (human)
post-translational protein modification	Cyclin-dependent kinase 2	Homo sapiens (human)
positive regulation of DNA replication	Cyclin-dependent kinase 2	Homo sapiens (human)
positive regulation of DNA-templated transcription	Cyclin-dependent kinase 2	Homo sapiens (human)
centrosome duplication	Cyclin-dependent kinase 2	Homo sapiens (human)
cell division	Cyclin-dependent kinase 2	Homo sapiens (human)
meiotic cell cycle	Cyclin-dependent kinase 2	Homo sapiens (human)
cellular response to nitric oxide	Cyclin-dependent kinase 2	Homo sapiens (human)
cellular senescence	Cyclin-dependent kinase 2	Homo sapiens (human)
regulation of anaphase-promoting complex-dependent catabolic process	Cyclin-dependent kinase 2	Homo sapiens (human)
regulation of G2/M transition of mitotic cell cycle	Cyclin-dependent kinase 2	Homo sapiens (human)
signal transduction	Cyclin-dependent kinase 2	Homo sapiens (human)
regulation of gene expression	Cyclin-dependent kinase 2	Homo sapiens (human)
response to organic substance	Cyclin-dependent kinase 2	Homo sapiens (human)
male meiosis I	Cyclin-A1	Homo sapiens (human)
spermatogenesis	Cyclin-A1	Homo sapiens (human)
cell division	Cyclin-A1	Homo sapiens (human)
regulation of cyclin-dependent protein serine/threonine kinase activity	Cyclin-A1	Homo sapiens (human)
mitotic cell cycle phase transition	Cyclin-A1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
chromatin binding	Myeloperoxidase	Homo sapiens (human)
peroxidase activity	Myeloperoxidase	Homo sapiens (human)
protein binding	Myeloperoxidase	Homo sapiens (human)
heparin binding	Myeloperoxidase	Homo sapiens (human)
heme binding	Myeloperoxidase	Homo sapiens (human)
metal ion binding	Myeloperoxidase	Homo sapiens (human)
virus receptor activity	Cyclin-dependent kinase 1	Homo sapiens (human)
chromatin binding	Cyclin-dependent kinase 1	Homo sapiens (human)
protein kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
protein serine/threonine kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
protein binding	Cyclin-dependent kinase 1	Homo sapiens (human)
ATP binding	Cyclin-dependent kinase 1	Homo sapiens (human)
RNA polymerase II CTD heptapeptide repeat kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin binding	Cyclin-dependent kinase 1	Homo sapiens (human)
Hsp70 protein binding	Cyclin-dependent kinase 1	Homo sapiens (human)
histone kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin-dependent protein kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
protein serine kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
patched binding	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
protein binding	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
protein kinase binding	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
ubiquitin-like protein ligase binding	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase activator activity	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase regulator activity	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
DNA binding	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
methyltransferase activity	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
DNA-methyltransferase activity	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
metal ion binding	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
methylated-DNA-[protein]-cysteine S-methyltransferase activity	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
protein binding	Cyclin-A2	Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase regulator activity	Cyclin-A2	Homo sapiens (human)
protein kinase binding	Cyclin-A2	Homo sapiens (human)
protein domain specific binding	Cyclin-A2	Homo sapiens (human)
histone kinase activity	Cyclin-dependent kinase 2	Homo sapiens (human)
magnesium ion binding	Cyclin-dependent kinase 2	Homo sapiens (human)
protein serine/threonine kinase activity	Cyclin-dependent kinase 2	Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase activity	Cyclin-dependent kinase 2	Homo sapiens (human)
protein binding	Cyclin-dependent kinase 2	Homo sapiens (human)
ATP binding	Cyclin-dependent kinase 2	Homo sapiens (human)
protein domain specific binding	Cyclin-dependent kinase 2	Homo sapiens (human)
cyclin binding	Cyclin-dependent kinase 2	Homo sapiens (human)
cyclin-dependent protein kinase activity	Cyclin-dependent kinase 2	Homo sapiens (human)
protein serine kinase activity	Cyclin-dependent kinase 2	Homo sapiens (human)
protein binding	Cyclin-A1	Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase regulator activity	Cyclin-A1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
extracellular region	Myeloperoxidase	Homo sapiens (human)
extracellular space	Myeloperoxidase	Homo sapiens (human)
nucleus	Myeloperoxidase	Homo sapiens (human)
nucleoplasm	Myeloperoxidase	Homo sapiens (human)
lysosome	Myeloperoxidase	Homo sapiens (human)
secretory granule	Myeloperoxidase	Homo sapiens (human)
azurophil granule lumen	Myeloperoxidase	Homo sapiens (human)
azurophil granule	Myeloperoxidase	Homo sapiens (human)
intracellular membrane-bounded organelle	Myeloperoxidase	Homo sapiens (human)
extracellular exosome	Myeloperoxidase	Homo sapiens (human)
phagocytic vesicle lumen	Myeloperoxidase	Homo sapiens (human)
extracellular space	Myeloperoxidase	Homo sapiens (human)
mitochondrial matrix	Cyclin-dependent kinase 1	Homo sapiens (human)
chromosome, telomeric region	Cyclin-dependent kinase 1	Homo sapiens (human)
nucleus	Cyclin-dependent kinase 1	Homo sapiens (human)
nucleoplasm	Cyclin-dependent kinase 1	Homo sapiens (human)
mitochondrion	Cyclin-dependent kinase 1	Homo sapiens (human)
endoplasmic reticulum membrane	Cyclin-dependent kinase 1	Homo sapiens (human)
centrosome	Cyclin-dependent kinase 1	Homo sapiens (human)
cytosol	Cyclin-dependent kinase 1	Homo sapiens (human)
spindle microtubule	Cyclin-dependent kinase 1	Homo sapiens (human)
membrane	Cyclin-dependent kinase 1	Homo sapiens (human)
midbody	Cyclin-dependent kinase 1	Homo sapiens (human)
extracellular exosome	Cyclin-dependent kinase 1	Homo sapiens (human)
mitotic spindle	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin A1-CDK1 complex	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin A2-CDK1 complex	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin B1-CDK1 complex	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin-dependent protein kinase holoenzyme complex	Cyclin-dependent kinase 1	Homo sapiens (human)
cytoplasm	Cyclin-dependent kinase 1	Homo sapiens (human)
nucleus	Cyclin-dependent kinase 1	Homo sapiens (human)
mitochondrial matrix	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
spindle pole	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
nucleus	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
nucleoplasm	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
cytoplasm	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
centrosome	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
cytosol	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
membrane	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
cyclin B1-CDK1 complex	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
outer kinetochore	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
cytoplasm	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
nucleus	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
centrosome	G2/mitotic-specific cyclin-B1	Homo sapiens (human)
nucleoplasm	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
membrane	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
nucleus	Methylated-DNA--protein-cysteine methyltransferase	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)
female pronucleus	Cyclin-A2	Homo sapiens (human)
male pronucleus	Cyclin-A2	Homo sapiens (human)
nucleus	Cyclin-A2	Homo sapiens (human)
nucleoplasm	Cyclin-A2	Homo sapiens (human)
cytoplasm	Cyclin-A2	Homo sapiens (human)
cytosol	Cyclin-A2	Homo sapiens (human)
cyclin A2-CDK1 complex	Cyclin-A2	Homo sapiens (human)
cyclin A2-CDK2 complex	Cyclin-A2	Homo sapiens (human)
cyclin-dependent protein kinase holoenzyme complex	Cyclin-A2	Homo sapiens (human)
nucleus	Cyclin-A2	Homo sapiens (human)
centrosome	Cyclin-A2	Homo sapiens (human)
cytoplasm	Cyclin-A2	Homo sapiens (human)
chromosome, telomeric region	Cyclin-dependent kinase 2	Homo sapiens (human)
condensed chromosome	Cyclin-dependent kinase 2	Homo sapiens (human)
X chromosome	Cyclin-dependent kinase 2	Homo sapiens (human)
Y chromosome	Cyclin-dependent kinase 2	Homo sapiens (human)
male germ cell nucleus	Cyclin-dependent kinase 2	Homo sapiens (human)
nucleus	Cyclin-dependent kinase 2	Homo sapiens (human)
nuclear envelope	Cyclin-dependent kinase 2	Homo sapiens (human)
nucleoplasm	Cyclin-dependent kinase 2	Homo sapiens (human)
cytoplasm	Cyclin-dependent kinase 2	Homo sapiens (human)
endosome	Cyclin-dependent kinase 2	Homo sapiens (human)
centrosome	Cyclin-dependent kinase 2	Homo sapiens (human)
cytosol	Cyclin-dependent kinase 2	Homo sapiens (human)
Cajal body	Cyclin-dependent kinase 2	Homo sapiens (human)
cyclin A1-CDK2 complex	Cyclin-dependent kinase 2	Homo sapiens (human)
cyclin A2-CDK2 complex	Cyclin-dependent kinase 2	Homo sapiens (human)
cyclin E1-CDK2 complex	Cyclin-dependent kinase 2	Homo sapiens (human)
cyclin E2-CDK2 complex	Cyclin-dependent kinase 2	Homo sapiens (human)
cyclin-dependent protein kinase holoenzyme complex	Cyclin-dependent kinase 2	Homo sapiens (human)
transcription regulator complex	Cyclin-dependent kinase 2	Homo sapiens (human)
cytoplasm	Cyclin-dependent kinase 2	Homo sapiens (human)
nucleus	Cyclin-dependent kinase 2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)
nucleoplasm	Cyclin-A1	Homo sapiens (human)
cytosol	Cyclin-A1	Homo sapiens (human)
microtubule cytoskeleton	Cyclin-A1	Homo sapiens (human)
cyclin A1-CDK1 complex	Cyclin-A1	Homo sapiens (human)
cyclin A1-CDK2 complex	Cyclin-A1	Homo sapiens (human)
centrosome	Cyclin-A1	Homo sapiens (human)
cyclin A2-CDK2 complex	Cyclin-A1	Homo sapiens (human)
cytoplasm	Cyclin-A1	Homo sapiens (human)
nucleus	Cyclin-A1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (146)

Assay ID	Title	Year	Journal	Article
AID147467	O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)	1998	Journal of medicinal chemistry, Dec-17, Volume: 41, Issue:26	Inactivation of O6-alkylguanine-DNA alkyltransferase. 1. Novel O6-(hetarylmethyl)guanines having basic rings in the side chain.
AID84296	Effective dose required to kill 90% of HT-29 cells with BCNU (40 Dulbecco''s medium	2004	Journal of medicinal chemistry, Jul-15, Volume: 47, Issue:15	2-amino-O4-benzylpteridine derivatives: potent inactivators of O6-alkylguanine-DNA alkyltransferase.
AID551121	Inhibition of ASK1 assessed as phosphorylated fluorescent peptide at 10 uM by mobility shift assay	2011	Bioorganic & medicinal chemistry, Jan-01, Volume: 19, Issue:1	Identification of novel ASK1 inhibitors using virtual screening.
AID108075	In vitro inhibitory activity of compound against AGT (O6-alkylguanine-DNA alkyltransferase) at a concentration of 50 uM using breast cancer MCF-7 cells, expressed as Fmol O6-MeG removed/mg of protein	2003	Bioorganic & medicinal chemistry letters, Feb-24, Volume: 13, Issue:4	Synthesis and preliminary biological evaluation of 6-O-[11C]-[(methoxymethyl)benzyl]guanines, new potential PET breast cancer imaging agents for the DNA repair protein AGT.
AID108076	In vitro inhibitory activity of compound against AGT (O6-alkylguanine-DNA alkyltransferase) using breast cancer MDA-MB-435 cells, expressed as Fmol O6-MeG removed/mg of protein	2003	Bioorganic & medicinal chemistry letters, Feb-24, Volume: 13, Issue:4	Synthesis and preliminary biological evaluation of 6-O-[11C]-[(methoxymethyl)benzyl]guanines, new potential PET breast cancer imaging agents for the DNA repair protein AGT.
AID702530	Aqueous solubility of the compound in distilled water	2012	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 22, Issue:19	Design of a hypoxia-activated prodrug inhibitor of O6-alkylguanine-DNA alkyltransferase.
AID1223505	Drug metabolism in cryopreserved human hepatocytes assessed as aldehyde oxidase-mediated parent compound retention time at 10 uM by LC-MS extracted ion chromatogram analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 40, Issue:2	Characterization of aldehyde oxidase enzyme activity in cryopreserved human hepatocytes.
AID345690	Inactivation of human O-6-alkylguanine-DNA-alkyltransferase in human HT-29 cells at 0.5 to 2.5 uM upto 30 mins by reverse-phase HPLC in presence of [3H]methylated calf thymus DNA	2008	Journal of medicinal chemistry, Nov-27, Volume: 51, Issue:22	Substitution of aminomethyl at the meta-position enhances the inactivation of O6-alkylguanine-DNA alkyltransferase by O6-benzylguanine.
AID87740	The compound was tested for its ability to enhance the cytotoxicity of ACNU toward HeLa S3 cells at 10 uM dose	1998	Journal of medicinal chemistry, Feb-12, Volume: 41, Issue:4	Inhibition of human O6-alkylguanine-DNA alkyltransferase and potentiation of the cytotoxicity of chloroethylnitrosourea by 4(6)-(benzyloxy)-2,6(4)-diamino-5-(nitro or nitroso)pyrimidine derivatives and analogues.
AID31150	Inhibition of AGT activity to 50% of control rate in HT-29 cell extract	2000	Journal of medicinal chemistry, Nov-02, Volume: 43, Issue:22	Resistance-modifying agents. 8. Inhibition of O(6)-alkylguanine-DNA alkyltransferase by O(6)-alkenyl-, O(6)-cycloalkenyl-, and O(6)-(2-oxoalkyl)guanines and potentiation of temozolomide cytotoxicity in vitro by O(6)-(1-cyclopentenylmethyl)guanine.
AID1888337	Inhibition of human recombinant MGMT expressed in Escherichia coli STAR BL21 pRare cells assessed as cleavage of fluorescent labelled substrate by Bsp 119I at 12.5 uM using O6MeG-bearing substrate (S) incubated for 5 mins by coupled enzymatic analysis rel
AID108072	In vitro inhibitory activity of compound against AGT (O6-alkylguanine-DNA alkyltransferase) at a concentration of 1 uM using breast cancer MCF-7 cells, expressed as Fmol O6-MeG removed/mg of protein	2003	Bioorganic & medicinal chemistry letters, Feb-24, Volume: 13, Issue:4	Synthesis and preliminary biological evaluation of 6-O-[11C]-[(methoxymethyl)benzyl]guanines, new potential PET breast cancer imaging agents for the DNA repair protein AGT.
AID702534	Inhibition of AGT in human HL60 cells assessed as AGT levels using [3H]AGT after 2 hrs	2012	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 22, Issue:19	Design of a hypoxia-activated prodrug inhibitor of O6-alkylguanine-DNA alkyltransferase.
AID31154	concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells	2000	Journal of medicinal chemistry, Nov-02, Volume: 43, Issue:22	Resistance-modifying agents. 8. Inhibition of O(6)-alkylguanine-DNA alkyltransferase by O(6)-alkenyl-, O(6)-cycloalkenyl-, and O(6)-(2-oxoalkyl)guanines and potentiation of temozolomide cytotoxicity in vitro by O(6)-(1-cyclopentenylmethyl)guanine.
AID1888341	Antiproliferative activity against human T98G cells assessed as cell growth inhibition incubated for 96 hrs by CellTiter-Glo luminescent cell viability assay
AID702532	Cytotoxicity against mouse EMT6 cells expressing human AGT assessed as cell survival fraction at 2 uM after 18 hrs by clonogenic assay	2012	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 22, Issue:19	Design of a hypoxia-activated prodrug inhibitor of O6-alkylguanine-DNA alkyltransferase.
AID53352	Inhibition of starfish oocyte (Marthasteria glacialis) Cyclin-dependent kinase 1-cyclin B1	2002	Journal of medicinal chemistry, Aug-01, Volume: 45, Issue:16	Probing the ATP ribose-binding domain of cyclin-dependent kinases 1 and 2 with O(6)-substituted guanine derivatives.
AID147469	In vitro inhibitory activity of compound against AGT (O6-alkylguanine-DNA alkyltransferase) at a concentration of 0.1 uM using breast cancer MCF-7 cells, expressed as Fmol O6-MeG removed/mg of protein	2003	Bioorganic & medicinal chemistry letters, Feb-24, Volume: 13, Issue:4	Synthesis and preliminary biological evaluation of 6-O-[11C]-[(methoxymethyl)benzyl]guanines, new potential PET breast cancer imaging agents for the DNA repair protein AGT.
AID87738	The compound was tested for its ability to enhance the cytotoxicity of ACNU toward HeLa S3 cells at 0.1 uM dose	1998	Journal of medicinal chemistry, Feb-12, Volume: 41, Issue:4	Inhibition of human O6-alkylguanine-DNA alkyltransferase and potentiation of the cytotoxicity of chloroethylnitrosourea by 4(6)-(benzyloxy)-2,6(4)-diamino-5-(nitro or nitroso)pyrimidine derivatives and analogues.
AID147596	AGT-inactivating activity was determined by 50% inactivation in HT-29 cell free extract upon incubation for 30 min	1995	Journal of medicinal chemistry, Jan-20, Volume: 38, Issue:2	8-Substituted O6-benzylguanine, substituted 6(4)-(benzyloxy)pyrimidine, and related derivatives as inactivators of human O6-alkylguanine-DNA alkyltransferase.
AID298495	Inactivation of human alkyltransferase in absence of DNA	2007	Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21	Inactivation of O(6)-alkylguanine-DNA alkyltransferase by folate esters of O(6)-benzyl-2'-deoxyguanosine and of O(6)-[4-(hydroxymethyl)benzyl]guanine.
AID320943	Inhibition of CDK1/Cyclin B	2008	Journal of medicinal chemistry, Mar-13, Volume: 51, Issue:5	Discovery of kinase inhibitors by high-throughput docking and scoring based on a transferable linear interaction energy model.
AID32854	In vitro inhibition of human alkyl transferase in HT-29 cell-free extracts.	1992	Journal of medicinal chemistry, Nov-13, Volume: 35, Issue:23	Structural features of substituted purine derivatives compatible with depletion of human O6-alkylguanine-DNA alkyltransferase.
AID1888369	Additive antiproliferative activity against human T98G cells assessed as reduction in cell viability at 25 uM pretreated for 2 hrs followed by TMZ addition at 188 uM and measured after 94 hrs by CellTiter-Glo luminescent cell viability assay
AID298496	Inactivation of human alkyltransferase in presence of DNA	2007	Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21	Inactivation of O(6)-alkylguanine-DNA alkyltransferase by folate esters of O(6)-benzyl-2'-deoxyguanosine and of O(6)-[4-(hydroxymethyl)benzyl]guanine.
AID147597	AGT-inactivating activity was determined by 50% inactivation in HT-29 cells upon incubation for 4 h	1995	Journal of medicinal chemistry, Jan-20, Volume: 38, Issue:2	8-Substituted O6-benzylguanine, substituted 6(4)-(benzyloxy)pyrimidine, and related derivatives as inactivators of human O6-alkylguanine-DNA alkyltransferase.
AID1888358	Induction of apoptosis in human T98G cells assessed as increase in early apoptotic cells at 92 uM pretreated for 2 hrs followed by TMZ addition and measured after 48 hrs by Annexin V-FITC/PI staining based flow cytometry analysis
AID1215672	Drug metabolism in pooled human hepatocytes assessed as aldehyde oxidase-mediated drug metabolism at 10 uM up to 120 mins by HPLC analysis in presence of 50 uM of hydralazine	2012	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 40, Issue:7	Hydralazine as a selective probe inactivator of aldehyde oxidase in human hepatocytes: estimation of the contribution of aldehyde oxidase to metabolic clearance.
AID101874	In vitro cytotoxicity against M4Beu cells when co-administered with 50 uM cystemustine.	1997	Journal of medicinal chemistry, Aug-29, Volume: 40, Issue:18	O6-(alkyl/aralkyl)guanosine and 2'-deoxyguanosine derivatives: synthesis and ability to enhance chloroethylnitrosourea antitumor action.
AID702531	Potentiation of laromustine-induced cytotoxicity against mouse EMT6 cells expressing human AGT assessed as cell survival fraction at 2 uM treated 2 hrs before laromustine addition measured after 18 hrs by clonogenic assay	2012	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 22, Issue:19	Design of a hypoxia-activated prodrug inhibitor of O6-alkylguanine-DNA alkyltransferase.
AID31148	Compound was evaluated for inactivation of G160R mutant AGT	2000	Journal of medicinal chemistry, Nov-02, Volume: 43, Issue:22	Resistance-modifying agents. 8. Inhibition of O(6)-alkylguanine-DNA alkyltransferase by O(6)-alkenyl-, O(6)-cycloalkenyl-, and O(6)-(2-oxoalkyl)guanines and potentiation of temozolomide cytotoxicity in vitro by O(6)-(1-cyclopentenylmethyl)guanine.
AID1223503	Total clearance in human	2012	Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 40, Issue:2	Characterization of aldehyde oxidase enzyme activity in cryopreserved human hepatocytes.
AID320945	Inhibition of CDK2/Cyclin A	2008	Journal of medicinal chemistry, Mar-13, Volume: 51, Issue:5	Discovery of kinase inhibitors by high-throughput docking and scoring based on a transferable linear interaction energy model.
AID147599	In vitro inactivation of human O6-alkylguanine-DNA alkyltransferase in the presence of calf thymus DNA (ctDNA)	2004	Journal of medicinal chemistry, Jul-15, Volume: 47, Issue:15	2-amino-O4-benzylpteridine derivatives: potent inactivators of O6-alkylguanine-DNA alkyltransferase.
AID87739	The compound was tested for its ability to enhance the cytotoxicity of ACNU toward HeLa S3 cells at 1 uM dose	1998	Journal of medicinal chemistry, Feb-12, Volume: 41, Issue:4	Inhibition of human O6-alkylguanine-DNA alkyltransferase and potentiation of the cytotoxicity of chloroethylnitrosourea by 4(6)-(benzyloxy)-2,6(4)-diamino-5-(nitro or nitroso)pyrimidine derivatives and analogues.
AID1888338	Irreversible inhibition of human recombinant MGMT expressed in Escherichia coli STAR BL21 pRare cells assessed as cleavage of fluorescent labelled substrate by Bsp 119I at 12.5 uM using O6MeG-bearing substrate (S) preincubated for 30 mins followed by subs
AID646517	Inhibition of human recombinant AGT assessed as prevention of O6-(2-chloroethyl)guanine and N1,O6-ethanoguanine-DNA adduct repair at 0.1 uM after 30 mins by fluorescence assay	2011	Journal of medicinal chemistry, Nov-10, Volume: 54, Issue:21	4-nitrobenzyloxycarbonyl derivatives of O(6)-benzylguanine as hypoxia-activated prodrug inhibitors of O(6)-alkylguanine-DNA alkyltransferase (AGT), which produces resistance to agents targeting the O-6 position of DNA guanine.
AID147471	In vitro inhibitory activity of compound against AGT (O6-alkylguanine-DNA alkyltransferase) at a concentration of 10 uM using breast cancer MCF-7 cells, expressed as Fmol O6-MeG removed/mg of protein	2003	Bioorganic & medicinal chemistry letters, Feb-24, Volume: 13, Issue:4	Synthesis and preliminary biological evaluation of 6-O-[11C]-[(methoxymethyl)benzyl]guanines, new potential PET breast cancer imaging agents for the DNA repair protein AGT.
AID1888366	Synergistic antiproliferative activity against human T98G cells assessed as reduction in cell viability at 25 uM pretreated for 2 hrs followed by TMZ addition at 94 uM and measured after 94 hrs by CellTiter-Glo luminescent cell viability assay
AID740174	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 assessed as growth inhibition at 6.25 ug/ml by radiometric BACTEC assay	2013	Bioorganic & medicinal chemistry, Apr-01, Volume: 21, Issue:7	6-Oxo and 6-thio purine analogs as antimycobacterial agents.
AID106501	In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells	2001	Journal of medicinal chemistry, Nov-22, Volume: 44, Issue:24	Monosaccharide-linked inhibitors of O(6)-methylguanine-DNA methyltransferase (MGMT): synthesis, molecular modeling, and structure-activity relationships.
AID147598	In vitro inactivation of human O6-alkylguanine-DNA alkyltransferase in the absence of calf thymus DNA (ctDNA)	2004	Journal of medicinal chemistry, Jul-15, Volume: 47, Issue:15	2-amino-O4-benzylpteridine derivatives: potent inactivators of O6-alkylguanine-DNA alkyltransferase.
AID1888357	Induction of apoptosis in human T98G cells assessed as increase in early apoptotic cells at 92 uM measured after 48 to 96 hrs by Annexin V-FITC/PI staining based flow cytometry analysis
AID1888359	Induction of apoptosis in human T98G cells assessed as increase in early apoptotic cells at 92 uM pretreated for 2 hrs followed by TMZ addition and measured after 96 hrs by Annexin V-FITC/PI staining based flow cytometry analysis (Rvb = 2 %)
AID1888352	Induction of DNA damage in human T98G cells assessed as increase in gammaH2AX foci number and size at 92 uM pretreated for 2 hrs followed by TMZ addition and measured after 94 hrs by DAPI staining based immunofluorescence assay
AID1223502	Clearance in cryopreserved human hepatocytes at 1 uM up to 120 mins by LC/MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 40, Issue:2	Characterization of aldehyde oxidase enzyme activity in cryopreserved human hepatocytes.
AID521220	Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
AID1888339	Competitive inhibition of human recombinant MGMT expressed in Escherichia coli STAR BL21 pRare cells assessed as cleavage of fluorescent labelled substrate by Bsp 119I at 12.5 uM using O6MeG-bearing substrate (S) incubated for 10 mins in presence of non-s
AID345684	Inactivation of histidine6-tagged wild type human recombinant O-6-alkylguanine-DNA-alkyltransferase expressed in Escherichia coli assessed as [3H]methylated protein formation in presence of [3H]methylated calf thymus DNA	2008	Journal of medicinal chemistry, Nov-27, Volume: 51, Issue:22	Substitution of aminomethyl at the meta-position enhances the inactivation of O6-alkylguanine-DNA alkyltransferase by O6-benzylguanine.
AID31160	Percent of AGT inactivation in HT-29 cell extract at 1 mM concentration; ND denotes no data.	2000	Journal of medicinal chemistry, Nov-02, Volume: 43, Issue:22	Resistance-modifying agents. 8. Inhibition of O(6)-alkylguanine-DNA alkyltransferase by O(6)-alkenyl-, O(6)-cycloalkenyl-, and O(6)-(2-oxoalkyl)guanines and potentiation of temozolomide cytotoxicity in vitro by O(6)-(1-cyclopentenylmethyl)guanine.
AID53534	Inhibition of human Cyclin-dependent kinase 2-cyclin A	2002	Journal of medicinal chemistry, Aug-01, Volume: 45, Issue:16	Probing the ATP ribose-binding domain of cyclin-dependent kinases 1 and 2 with O(6)-substituted guanine derivatives.
AID31146	Compound was evaluated for inactivation of Wild type AGT	2000	Journal of medicinal chemistry, Nov-02, Volume: 43, Issue:22	Resistance-modifying agents. 8. Inhibition of O(6)-alkylguanine-DNA alkyltransferase by O(6)-alkenyl-, O(6)-cycloalkenyl-, and O(6)-(2-oxoalkyl)guanines and potentiation of temozolomide cytotoxicity in vitro by O(6)-(1-cyclopentenylmethyl)guanine.
AID1888371	Additive antiproliferative activity against human T98G cells assessed as reduction in cell viability at 25 uM pretreated for 2 hrs followed by TMZ addition at 375 uM and measured after 94 hrs by CellTiter-Glo luminescent cell viability assay
AID147600	In vitro inhibitory activity against human O6-alkylguanine-DNA alkyltransferase (AGAT)	1998	Journal of medicinal chemistry, Feb-12, Volume: 41, Issue:4	Inhibition of human O6-alkylguanine-DNA alkyltransferase and potentiation of the cytotoxicity of chloroethylnitrosourea by 4(6)-(benzyloxy)-2,6(4)-diamino-5-(nitro or nitroso)pyrimidine derivatives and analogues.
AID23392	In vitro half-life at 37 degree Centigrade in phosphate-buffered saline(PBS; pH =7-7.2)	1998	Journal of medicinal chemistry, Dec-17, Volume: 41, Issue:26	Inactivation of O6-alkylguanine-DNA alkyltransferase. 1. Novel O6-(hetarylmethyl)guanines having basic rings in the side chain.
AID84297	Effective dose required to kill 90% of HT-29 cells with BCNU (40 uM); RPMI medium	2004	Journal of medicinal chemistry, Jul-15, Volume: 47, Issue:15	2-amino-O4-benzylpteridine derivatives: potent inactivators of O6-alkylguanine-DNA alkyltransferase.
AID345685	Inactivation of histidine6-tagged wild type human recombinant O-6-alkylguanine-DNA-alkyltransferase expressed in Escherichia coli assessed as [3H]methylated protein formation in absence of [3H]methylated calf thymus DNA	2008	Journal of medicinal chemistry, Nov-27, Volume: 51, Issue:22	Substitution of aminomethyl at the meta-position enhances the inactivation of O6-alkylguanine-DNA alkyltransferase by O6-benzylguanine.
AID1416577	Inhibition of human MPO assessed as reduction in enzyme-mediated chlorination by measuring reduction in HOCl formation preincubated for 10 mins followed by H2O2/NaCl addition and measured at 30 secs time interval for 5 mins by APF dye based fluorescence a	2017	MedChemComm, Nov-01, Volume: 8, Issue:11	Triazolopyrimidines identified as reversible myeloperoxidase inhibitors.
AID101872	In vitro cytotoxicity in M4Beu cells after 4 hr exposure to 300 uM.	1997	Journal of medicinal chemistry, Aug-29, Volume: 40, Issue:18	O6-(alkyl/aralkyl)guanosine and 2'-deoxyguanosine derivatives: synthesis and ability to enhance chloroethylnitrosourea antitumor action.
AID31149	Compound was evaluated for inactivation of P140K mutant AGT	2000	Journal of medicinal chemistry, Nov-02, Volume: 43, Issue:22	Resistance-modifying agents. 8. Inhibition of O(6)-alkylguanine-DNA alkyltransferase by O(6)-alkenyl-, O(6)-cycloalkenyl-, and O(6)-(2-oxoalkyl)guanines and potentiation of temozolomide cytotoxicity in vitro by O(6)-(1-cyclopentenylmethyl)guanine.
AID147468	O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase activity)	1998	Journal of medicinal chemistry, Dec-17, Volume: 41, Issue:26	Inactivation of O6-alkylguanine-DNA alkyltransferase. 1. Novel O6-(hetarylmethyl)guanines having basic rings in the side chain.
AID1888342	Growth inhibition of human HT-29 cells measured after 24 hrs
AID1888351	Inactivation of MGMT in human T98G cells assessed as reduction in protein content in cellular extract at 2 uM using O6MeG-bearing substrate (S) incubated for 2 hrs by PAGE analysis relative to control
AID32856	Inhibitory activity against alkyl transferase in HT-29 cells	1992	Journal of medicinal chemistry, Nov-13, Volume: 35, Issue:23	Structural features of substituted purine derivatives compatible with depletion of human O6-alkylguanine-DNA alkyltransferase.
AID1223518	Drug metabolism in cryopreserved human hepatocytes assessed as aldehyde oxidase-mediated metabolite formation at 10 uM by LC-MS extracted ion chromatogram analysis in presence of hydralazine	2012	Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 40, Issue:2	Characterization of aldehyde oxidase enzyme activity in cryopreserved human hepatocytes.
AID31147	Compound was evaluated for inactivation of Y158H mutant AGT	2000	Journal of medicinal chemistry, Nov-02, Volume: 43, Issue:22	Resistance-modifying agents. 8. Inhibition of O(6)-alkylguanine-DNA alkyltransferase by O(6)-alkenyl-, O(6)-cycloalkenyl-, and O(6)-(2-oxoalkyl)guanines and potentiation of temozolomide cytotoxicity in vitro by O(6)-(1-cyclopentenylmethyl)guanine.
AID31143	Compound was evaluated for inactivation of 156A mutant AGT	2000	Journal of medicinal chemistry, Nov-02, Volume: 43, Issue:22	Resistance-modifying agents. 8. Inhibition of O(6)-alkylguanine-DNA alkyltransferase by O(6)-alkenyl-, O(6)-cycloalkenyl-, and O(6)-(2-oxoalkyl)guanines and potentiation of temozolomide cytotoxicity in vitro by O(6)-(1-cyclopentenylmethyl)guanine.
AID702535	Inhibition of purified recombinant human AGT assessed as ability to repair L1210 DNA containing cross-link precursor lesions at 0.01 to 1 uM after 10 mins	2012	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 22, Issue:19	Design of a hypoxia-activated prodrug inhibitor of O6-alkylguanine-DNA alkyltransferase.
AID1347126	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347112	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347111	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347128	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347113	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347059	CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID504836	Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation	2002	The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16	Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID588349	qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347129	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347109	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347114	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347045	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347117	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347049	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347123	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347058	CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347127	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347122	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347125	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347050	Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347121	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID588378	qHTS for Inhibitors of ATXN expression: Validation
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347124	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347115	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347118	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347405	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347119	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347057	CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347410	qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library	2019	Cellular signalling, 08, Volume: 60	A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347116	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347110	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for A673 cells)	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347151	Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347411	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
AID1795776	Kinase Inhibition Assay from Article 10.1021/jm020056z: \\Probing the ATP ribose-binding domain of cyclin-dependent kinases 1 and 2 with O(6)-substituted guanine derivatives.\\	2002	Journal of medicinal chemistry, Aug-01, Volume: 45, Issue:16	Probing the ATP ribose-binding domain of cyclin-dependent kinases 1 and 2 with O(6)-substituted guanine derivatives.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	128 (36.16)	18.2507
2000's	144 (40.68)	29.6817
2010's	71 (20.06)	24.3611
2020's	11 (3.11)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	28 (7.76%)	5.53%
Reviews	12 (3.32%)	6.00%
Case Studies	2 (0.55%)	4.05%
Observational	1 (0.28%)	0.25%
Other	318 (88.09%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Trial	Phase	Enrollment	Study Type	Start Date	Status
Phase II Trial O6-benzylguanine(BG) and Temozolomide(TMZ) Therapy of Glioblastoma Multiforme (GBM) With Infusion of Autologous P140K MGMT+Hematopoietic Progenitors to Protect Hematopoiesis[NCT05052957]	Phase 2	16 participants (Anticipated)	Interventional	2023-01-20	Recruiting
A Phase I/II Multicenter Clinical Trial of O6Benzylguanine and Topical Carmustine in the Treatment of Refractory Early-Stage (IA-IIA) Cutaneous T-Cell Lymphoma[NCT00961220]	Phase 1/Phase 2	17 participants (Actual)	Interventional	2010-02-01	Completed
Phase I Trail of Temodar Plus O6-Benzylguanine (O6-BG) (NSC 637037) Plus Irinotecan (CPT-11) (NSC 616348) in the Treatment of Patients With Recurrent / Progressive Cerebral Anaplastic Gliomas[NCT00612638]	Phase 1	96 participants (Anticipated)	Interventional	2005-01-31	Completed
Benzylguanine-Mediated Tumor Sensitization With Chemoprotected Autologous Stem Cells for Patients With Malignant Gliomas[NCT00669669]	Phase 1/Phase 2	12 participants (Actual)	Interventional	2009-02-25	Terminated(stopped due to Terminated due to loss in funding.)
A Phase II Trial of O6-Benzylguanine (NSC 637037) and BCNU (Carmustine) in Patients With Metatstatic Melanoma[NCT00005961]	Phase 2	40 participants (Actual)	Interventional	2000-06-30	Completed
Phase II Trial of O6Benzylguanine and BCNU in Patients With Colon and Rectal Carcinoma[NCT00005981]	Phase 2	13 participants (Actual)	Interventional	2000-06-30	Completed
A Phase 2 Study of O-Benzylguanine (O-BG) and Temozolomide in Patients With Glioblastoma Progressing at Least 3 Months After Completion of Primary Treatment With Radiation Therapy and Temozolomide[NCT00436436]	Phase 2	12 participants (Actual)	Interventional	2006-11-13	Terminated(stopped due to Study closed to accrual after the company chose to stop development of the drug.)
A Phase II Trial of O6-Benzylguanine and Temozolomide in Pediatric Patients With Recurrent or Progressive High-Grade Gliomas and Recurrent or Progressive Brainstem Tumors[NCT00275002]	Phase 2	41 participants (Actual)	Interventional	2006-02-28	Completed
Phase I Trial of Temodar Plus O6-Benzylguanine (O6-BG) (NSC 637037) in the Treatment of Patients With Newly Diagnosed (Part 1) or Recurrent/Progressive (Parts 1 and 2) Cerebral Anaplastic Gliomas[NCT00006474]	Phase 1	0 participants	Interventional	2001-03-31	Completed
Phase I Trial of a 5-day Regimen of Temodar Plus O6-Benzylguanine (O6-BG) in the Treatment of Patients With Recurrent / Progressive Glioblastoma Multiforme[NCT00612989]	Phase 1	42 participants (Anticipated)	Interventional	2005-02-28	Completed
Phase II Trial of Temodar Plus O6-Benzylguanine (O6-BG) (NSC 637037) in the Treatment of Patients With Temodar-Resistant Malignant Glioma[NCT00613093]	Phase 2	67 participants (Actual)	Interventional	2002-10-31	Completed
Phase I Trial of O6 Benzylguanine and BCNU; A Biochemical Modulation Trial Based Upon Depletion of O6 Alkylguanine DNA Alkyltransferase Directed DNA Repair[NCT00002604]	Phase 1	28 participants (Actual)	Interventional	1996-01-31	Completed
Phase I Trial of BCNU Plus O6-Benzylguanine in the Treatment of Patients With Recurrent, Persistent or Progressive Cerebral Anaplastic Gliomas[NCT00003348]	Phase 1	56 participants (Anticipated)	Interventional	1998-05-31	Completed
A Phase I Study Of BG In Combination With Ifosfamide For Advanced Solid Tumors[NCT00086970]	Phase 1	32 participants (Actual)	Interventional	2004-06-30	Terminated(stopped due to Administratively complete.)
A Phase II Study of Temozolomide and O6-Benzylguanine (O6-BG) in Patients With Temozolomide-Resistant Anaplastic Glioma[NCT00389090]	Phase 2	32 participants (Actual)	Interventional	2006-10-31	Terminated(stopped due to AOI Pharma terminated the license agreement. IND Transferred to NCI)
Phase I Trial of GLIADEL and O(6)-Benzylguanine in Pediatric Patients With Recurrent Malignant Gliomas[NCT00045721]	Phase 1	3 participants (Actual)	Interventional	2003-03-31	Terminated(stopped due to Poor accrual)
Phase I Trial of Temozolomide and O6-Benzylguanine in Pediatric Patients With Recurrent Brain Tumors[NCT00052780]	Phase 1	72 participants (Actual)	Interventional	2002-10-31	Completed
A Phase III Study of Radiation Therapy (RT) and O6-Benzylguanine (O6-BG) Plus BCNU Versus RT and BCNU Alone for Newly Diagnosed Glioblastoma Multiforme (GBM) and Gliosarcoma[NCT00017147]	Phase 3	183 participants (Actual)	Interventional	2001-09-30	Completed
Phase I Trial and Pharmacokinetic Study of Temozolomide and O6-Benzylguanine in Childhood Solid Tumors[NCT00020150]	Phase 1	0 participants	Interventional	2000-06-30	Completed
Phase 2 Trial of BCNU Plus O6-Benzylguanine (NSC 637037) in the Treatment of Patients With Newly Diagnosed Glioblastoma Multiforme[NCT00046878]	Phase 2	0 participants (Actual)	Interventional		Withdrawn
A Pilot Study of Temozolomide and O-Benzylguanine for Treatment of High-Grade Glioma, Using Autologous Peripheral Blood Stem Cells Genetically Modified for Chemoprotection[NCT00253487]		0 participants	Interventional	2005-08-31	Completed
A Pilot Study of Temozolomide and 06Benzylguanine for Treatment of Newly Diagnosed High Grade Glioma, Using Autologous Peripheral Blood Stem Cells Genetically Modified for Chemoprotection[NCT00272870]	Phase 1	1 participants (Actual)	Interventional	2005-12-31	Terminated(stopped due to Slow accrual; drug availability)
AUTOLOGOUS TRANSPLANTATION AND STEM CELL BASED-GENE THERAPY FOR THE TREATMENT OF HIV-ASSOCIATED LYMPHOMA[NCT01769911]		0 participants (Actual)	Interventional	2015-02-28	Withdrawn
06-benzylguanine (BG) and Temozolomide (TMZ) Therapy of Glioblastoma Multiforme (GBM) in Patients With MGMT Positive Tumors With Infusion of Autologous P140KMGMT+ Hematopoietic Progenitors to Protect Hematopoiesis[NCT01269424]	Phase 1	10 participants (Actual)	Interventional	2011-11-22	Completed
Determination of Optimal O6-Benzylguanine Dose to Achieve O6-Alkylguanine-DNA Alkyltransferase Depletion in Patients With Surgically Resectable Solid Tumors[NCT00003766]	Phase 1	25 participants (Actual)	Interventional	1999-10-31	Completed
Phase II Trial of O6-Benzylguanine (NSC 637037) and BCNU in Patients With Multiple Myeloma[NCT00004072]	Phase 2	17 participants (Actual)	Interventional	1999-09-30	Completed
Phase I GLIADEL and Continuous Infusion of Intravenous O6-Benzylguanine Trial in Patients With Recurrent Malignant Glioma[NCT00004892]	Phase 1	0 participants	Interventional	2000-04-30	Completed
A Phase II Trial of O6-Benzylguanine (NSC 637037) and BCNU (Carmustine) in Patients With Advanced Soft Tissue Sarcoma[NCT00005066]	Phase 2	12 participants (Actual)	Interventional	2000-06-30	Completed
A Phase I Trial of Pre-Surgical O6-Benzylguanine in the Treatment of Patients With Malignant Glioma[NCT00002971]	Phase 1	0 participants	Interventional	1997-06-19	Completed
Phase I Trial of O6 Benzylguanine and BCNU in Cutaneous T-cell Lymphoma[NCT00003613]	Phase 1	20 participants (Anticipated)	Interventional	1999-04-30	Terminated
Phase II Trial of Gliadel Plus 06-Benzylguanine for Patients With Recurrent Glioblastoma Multiforme[NCT00362921]	Phase 2	52 participants (Actual)	Interventional	2004-04-30	Completed
Mutant MGMT Gene Transfer Into Human Hematopoietic Progenitors to Protect Hematopoiesis During O6-Benzylguanine (BG, NSC 637037) and Carmustine Followed by Temozolomide Therapy of Advanced Solid Tumors[NCT00003567]	Phase 1	8 participants (Actual)	Interventional	1999-05-31	Terminated(stopped due to slow accrual)
A Trial of 06-BG and BCNU in Children With CNS Tumors[NCT00003765]	Phase 1	36 participants (Actual)	Interventional	1999-05-31	Completed
A Clinical Trial of Gene-Modified Stem Cells to Generate HIV-Resistant Cells in Conjunction With Standard Chemotherapy for Treatment of Lymphoma in Patients With HIV Infection[NCT02343666]	Phase 1	0 participants (Actual)	Interventional	2016-08-15	Withdrawn(stopped due to Administrative closure prior to any enrollments)
Phase II Trial of BCNU Plus O6-Benzylguanine in the Treatment of Patients With Recurrent or Progressive Cerebral Anaplastic Gliomas[NCT00005081]	Phase 2	0 participants	Interventional	2000-08-31	Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Intervention	participants (Number)
	Complete Clinical Response-confirmed	Complete Clinical Response-unconfirmed	Partial Response	Progressive Disease
Treatment (O6-benzylguanine, Carmustine)	6	2	8	1

Intervention	months (Median)
Treatment (Chemotherapy, Autologous Stem Cell Transplant)	4.5

Intervention	copies/cell (Mean)
Treatment (Chemotherapy, Autologous Stem Cell Transplant)	0.50

Intervention	copies/cell (Mean)
Treatment (Chemotherapy, Autologous Stem Cell Transplant)	0.78

Intervention	Participants (Count of Participants)
Treatment (Chemotherapy, Autologous Stem Cell Transplant)	1

Intervention	Participants (Count of Participants)
Treatment (Chemotherapy, Autologous Stem Cell Transplant)	0

Intervention	Participants (Count of Participants)
Treatment (Chemotherapy, Autologous Stem Cell Transplant)	2

Intervention	Participants (Count of Participants)
Treatment (Chemotherapy, Autologous Stem Cell Transplant)	4

Intervention	Participants (Count of Participants)
Treatment (Chemotherapy, Autologous Stem Cell Transplant)	0

Intervention	Participants (Count of Participants)
Treatment (Chemotherapy, Autologous Stem Cell Transplant)	1

Intervention	months (Median)
Treatment (Chemotherapy, Autologous Stem Cell Transplant)	5.5

Intervention	Participants (Count of Participants)
O6-benzylguanine & Temozolomide in Glioblastoma	12

Intervention	Participants (Number)
Recurrent High-Grade Gliomas	16
Recurrent Brain Stem Tumors	10

Intervention	Percent of Participants (Number)
Recurrent High-Grade Gliomas	4
Recurrent Brain Stem Tumors	0

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
o-(6)-methylguanine	[no description available]	medium	30	0	methylguanine	mutagen
2-Amino-6-(benzylthio)purine	[no description available]	medium	1	0	thiopurine
6-(4-nitrobenzylthio)guanosine	[no description available]	medium	2	0
o(6)-benzyl-2'-deoxyguanosine	[no description available]	medium	7	0
2,4-diamino-6-benzyloxy-5-nitrosopyrimidine	[no description available]	medium	2	0
nu2058	[no description available]	medium	5	0
temozolomide	[no description available]	medium	66	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
temozolomide	[no description available]	medium	66	10	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
o(6)-n-butylguanine	[no description available]	medium	3	0
6-ethylguanine	[no description available]	medium	9	0
lomeguatrib	[no description available]	medium	4	0
gamma-aminobutyric acid	[no description available]	medium	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
acetamide	[no description available]	medium	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
quinacrine	[no description available]	medium	1	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
catechol	[no description available]	medium	1	0	catechols	allelochemical; genotoxin; plant metabolite
taxifolin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone
phosphonoacetic acid	[no description available]	medium	1	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid	[no description available]	medium	1	0	catechols; dihydroxyphenylacetic acid	human metabolite
aminocaproic acid	[no description available]	medium	1	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
diacetyl	[no description available]	medium	1	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
hydroquinone	[no description available]	medium	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
melatonin	[no description available]	medium	1	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
n-acetylserotonin	[no description available]	medium	1	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
pyrazinamide	[no description available]	medium	1	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
quinolinic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
taurine	[no description available]	medium	1	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
2-amino-5-phosphonovalerate	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
alpha-methyl-4-carboxyphenylglycine	[no description available]	medium	1	0
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid	[no description available]	medium	1	0
1-hydroxy-3-amino-2-pyrrolidone	[no description available]	medium	1	0
ibotenic acid	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	neurotoxin
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane	[no description available]	medium	1	0
sk&f-38393	[no description available]	medium	1	0	benzazepine; catechols; secondary amino compound
vanilmandelic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
1,10-diaminodecane	[no description available]	medium	1	0
1,3-diethyl-8-phenylxanthine	[no description available]	medium	1	0
1,3-dipropyl-8-cyclopentylxanthine	[no description available]	medium	1	0	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
1,3-dipropyl-8-(4-sulfophenyl)xanthine	[no description available]	medium	1	0
1,5-dihydroxyisoquinoline	[no description available]	medium	1	0	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pk 11195	[no description available]	medium	1	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
1-(2-trifluoromethylphenyl)imidazole	[no description available]	medium	1	0	imidazoles
1-aminobenzotriazole	[no description available]	medium	1	0
1-methylimidazole	[no description available]	medium	1	0	imidazoles
edelfosine	[no description available]	medium	1	0	glycerophosphocholine
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one	[no description available]	medium	1	0	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor
2,2'-dipyridyl	[no description available]	medium	1	0	bipyridine	chelator; ferroptosis inhibitor
2-hydroxysaclofen	[no description available]	medium	1	0	organochlorine compound
3,4-dichloroisocoumarin	[no description available]	medium	1	0	isocoumarins; organochlorine compound	geroprotector; serine protease inhibitor
phaclofen	[no description available]	medium	1	0	organophosphate oxoanion; zwitterion
3-aminobenzamide	[no description available]	medium	3	0	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3-bromo-7-nitroindazole	[no description available]	medium	1	0
enprofylline	[no description available]	medium	1	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
3-nitropropionic acid	[no description available]	medium	1	0	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
4-amino-1,8-naphthalimide	[no description available]	medium	1	0	benzoisoquinoline; dicarboximide
4-aminopyridine	[no description available]	medium	1	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
homovanillic acid	[no description available]	medium	1	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
4-hydroxybenzoic acid hydrazide	[no description available]	medium	2	0	carbohydrazide; phenols
4-phenyl-3-furoxancarbonitrile	[no description available]	medium	1	0	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
5,5-dimethyl-1-pyrroline-1-oxide	[no description available]	medium	1	0	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
phenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
5,7-dichlorokynurenic acid	[no description available]	medium	1	0	quinolines
5-(n,n-hexamethylene)amiloride	[no description available]	medium	1	0	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
ethylisopropylamiloride	[no description available]	medium	1	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
5-fluoroindole-2-carboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
hydroxyindoleacetic acid	[no description available]	medium	1	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
phenanthridone	[no description available]	medium	1	0	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen
6-chloromelatonin	[no description available]	medium	1	0	acetamides
6-hydroxymelatonin	[no description available]	medium	1	0	acetamides; tryptamines	metabolite; mouse metabolite
6-methoxytryptoline	[no description available]	medium	1	0
6-nitroso-1,2-benzopyrone	[no description available]	medium	1	0
7-chlorokynurenic acid	[no description available]	medium	1	0	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist
7-nitroindazole	[no description available]	medium	1	0
8-(4-sulfophenyl)theophylline	[no description available]	medium	1	0
8-cyclopentyl-1,3-dimethylxanthine	[no description available]	medium	1	0	oxopurine
8-phenyltheophylline	[no description available]	medium	1	0
acetazolamide	[no description available]	medium	1	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	1	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
ag 127	[no description available]	medium	1	0	nitrophenol
rtki cpd	[no description available]	medium	2	0	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
tyrphostin a23	[no description available]	medium	1	0	catechols
tyrphostin 25	[no description available]	medium	1	0	benzenetriol
tyrphostin a1	[no description available]	medium	1	0	methoxybenzenes	geroprotector
1-aminoindan-1,5-dicarboxylic acid	[no description available]	medium	1	0
albuterol	[no description available]	medium	1	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alpha-methyltyrosine methyl ester	[no description available]	medium	1	0
altretamine	[no description available]	medium	1	0	triamino-1,3,5-triazine
amfonelic acid	[no description available]	medium	1	0
amifostine anhydrous	[no description available]	medium	1	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
theophylline	[no description available]	medium	1	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
amoxapine	[no description available]	medium	1	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
aniracetam	[no description available]	medium	1	0	N-acylpyrrolidine; pyrrolidin-2-ones
2-amino-4-phosphonobutyric acid	[no description available]	medium	1	0
aspirin	[no description available]	medium	1	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atenolol	[no description available]	medium	1	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate	[no description available]	medium	1	0	alpha-amino acid
aurintricarboxylic acid	[no description available]	medium	1	0	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
azathioprine	[no description available]	medium	1	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelaic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
baclofen	[no description available]	medium	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bay-k-8644	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
benzamide	[no description available]	medium	1	0	benzamides
bepridil	[no description available]	medium	1	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bml 190	[no description available]	medium	1	0	N-acylindole
brimonidine	[no description available]	medium	1	0	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
bumetanide	[no description available]	medium	1	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
caffeine	[no description available]	medium	1	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
carbamazepine	[no description available]	medium	1	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carbetapentane	[no description available]	medium	1	0	benzenes
carisoprodol	[no description available]	medium	1	0	carbamate ester	muscle relaxant
carmustine	[no description available]	medium	110	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carmustine	[no description available]	medium	110	13	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
cgs 12066	[no description available]	medium	1	0	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist
cgs 15943	[no description available]	medium	1	0	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant
chlorambucil	[no description available]	medium	2	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlormezanone	[no description available]	medium	1	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chlorothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
chlorpropamide	[no description available]	medium	1	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorzoxazone	[no description available]	medium	1	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cilostamide	[no description available]	medium	1	0	quinolines
cilostazol	[no description available]	medium	1	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
cimetidine	[no description available]	medium	1	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cinoxacin	[no description available]	medium	1	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate	[no description available]	medium	1	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
clofibrate	[no description available]	medium	1	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clotrimazole	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cx546	[no description available]	medium	1	0
cyclothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
dephostatin	[no description available]	medium	1	0
nonivamide	[no description available]	medium	1	0	capsaicinoid; phenols	lachrymator
r 59022	[no description available]	medium	1	0	diarylmethane
diazoxide	[no description available]	medium	1	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
pentetic acid	[no description available]	medium	1	0	pentacarboxylic acid	copper chelator
diphenyleneiodonium	[no description available]	medium	1	0	organic cation
dipyridamole	[no description available]	medium	1	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disopyramide	[no description available]	medium	1	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	medium	1	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
2-amino-7-phosphonoheptanoic acid	[no description available]	medium	1	0
thiorphan	[no description available]	medium	1	0	N-acyl-amino acid
2,3-dimethoxy-1,4-naphthoquinone	[no description available]	medium	1	0	1,4-naphthoquinones
domperidone	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
droperidol	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
ebselen	[no description available]	medium	1	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
ellipticine	[no description available]	medium	1	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
emodin	[no description available]	medium	1	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
ethosuximide	[no description available]	medium	1	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
etodolac	[no description available]	medium	1	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
felbamate	[no description available]	medium	1	0	carbamate ester	anticonvulsant; neuroprotective agent
felodipine	[no description available]	medium	1	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenofibrate	[no description available]	medium	1	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
flumazenil	[no description available]	medium	1	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
fluorouracil	[no description available]	medium	4	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluspirilene	[no description available]	medium	1	0	diarylmethane
flutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
formoterol fumarate	[no description available]	medium	1	0	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
fpl 64176	[no description available]	medium	1	0	carboxylic ester; pyrroles	calcium channel agonist
furafylline	[no description available]	medium	1	0	oxopurine
furosemide	[no description available]	medium	1	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
fusaric acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
gabapentin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
4-amino-5-hexynoic acid	[no description available]	medium	1	0
glipizide	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
glyburide	[no description available]	medium	1	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
1-(5-isoquinolinesulfonyl)piperazine	[no description available]	medium	1	0	isoquinolines
haloperidol	[no description available]	medium	1	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hemicholinium 3	[no description available]	medium	1	0	morpholines
4-fluorohexahydrosiladifenidol	[no description available]	medium	1	0
hydrochlorothiazide	[no description available]	medium	1	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	medium	1	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
ibudilast	[no description available]	medium	1	0	pyrazolopyridine
ibuprofen	[no description available]	medium	1	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
ic 261	[no description available]	medium	1	0	indoles
ifenprodil	[no description available]	medium	1	0	piperidines
indirubin-3'-monoxime	[no description available]	medium	1	0
indomethacin	[no description available]	medium	1	0	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
iodoacetamide	[no description available]	medium	2	0
1-methyl-3-isobutylxanthine	[no description available]	medium	1	0	3-isobutyl-1-methylxanthine
4-piperidinecarboxylic acid	[no description available]	medium	1	0
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline	[no description available]	medium	1	0
jl 18	[no description available]	medium	1	0
nsc 664704	[no description available]	medium	1	0	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
ketoconazole	[no description available]	medium	2	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	1	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
kynurenic acid	[no description available]	medium	1	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
2-amino-3-phosphonopropionic acid	[no description available]	medium	1	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
lamotrigine	[no description available]	medium	1	0	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lansoprazole	[no description available]	medium	1	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone	[no description available]	medium	1	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
linopirdine	[no description available]	medium	1	0	indoles
loratadine	[no description available]	medium	1	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
loxoprofen	[no description available]	medium	1	0	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	[no description available]	medium	1	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
meclofenamate sodium anhydrous	[no description available]	medium	1	0	organic sodium salt
methiothepin	[no description available]	medium	1	0	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist
methoctramine	[no description available]	medium	1	0	aromatic ether; tetramine	muscarinic antagonist
nocodazole	[no description available]	medium	2	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
3-Hydroxy-alpha-methyl-DL-tyrosine	[no description available]	medium	1	0	benzenes; monocarboxylic acid
metolazone	[no description available]	medium	1	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
milrinone	[no description available]	medium	1	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
minoxidil	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
mitotane	[no description available]	medium	1	0	diarylmethane
mitoxantrone	[no description available]	medium	1	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
ml 7	[no description available]	medium	1	0	N-sulfonyldiazepane; organoiodine compound	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide	[no description available]	medium	1	0	naphthalenes; organochlorine compound; primary amino compound; sulfonamide
n-bromoacetamide	[no description available]	medium	1	0
ethylmaleimide	[no description available]	medium	1	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
fg 7142	[no description available]	medium	1	0	beta-carbolines
fenamic acid	[no description available]	medium	1	0	aminobenzoic acid; secondary amino compound	membrane transport modulator
n 0840	[no description available]	medium	1	0
nialamide	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
niclosamide	[no description available]	medium	1	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
nifedipine	[no description available]	medium	1	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
niflumic acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
nilutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	1	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimodipine	[no description available]	medium	1	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nipecotic acid	[no description available]	medium	1	0	beta-amino acid; piperidinemonocarboxylic acid
nitrendipine	[no description available]	medium	1	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
masoprocol	[no description available]	medium	1	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
5-nitro-2-(3-phenylpropylamino)benzoic acid	[no description available]	medium	1	0	nitrobenzoic acid
ns 2028	[no description available]	medium	1	0
ns 1619	[no description available]	medium	1	0	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
ofloxacin	[no description available]	medium	1	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
olomoucine	[no description available]	medium	1	0	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
oxaprozin	[no description available]	medium	1	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxatomide	[no description available]	medium	1	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
oxiracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
oxolinic acid	[no description available]	medium	1	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
quinone	[no description available]	medium	1	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
fenclonine	[no description available]	medium	1	0	phenylalanine derivative
palmidrol	[no description available]	medium	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
1,7-dimethylxanthine	[no description available]	medium	1	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
pd 98059	[no description available]	medium	1	0	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
pentamidine	[no description available]	medium	1	0	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
pentoxifylline	[no description available]	medium	2	0	oxopurine
perphenazine	[no description available]	medium	1	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenyl biguanide	[no description available]	medium	1	0	guanidines	central nervous system drug
phenylbutazone	[no description available]	medium	1	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
phloretin	[no description available]	medium	1	0	dihydrochalcones	antineoplastic agent; plant metabolite
picotamide	[no description available]	medium	1	0	benzamides
pinacidil	[no description available]	medium	1	0	pyridines
pindolol	[no description available]	medium	1	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
piperidine-4-sulfonic acid	[no description available]	medium	1	0
piracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
pirenperone	[no description available]	medium	1	0	aromatic ketone
praziquantel	[no description available]	medium	1	0	isoquinolines
primidone	[no description available]	medium	1	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
proglumide	[no description available]	medium	1	0	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
propentofylline	[no description available]	medium	1	0	oxopurine
propofol	[no description available]	medium	1	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pf 5901	[no description available]	medium	1	0	quinolines
riluzole	[no description available]	medium	1	0	benzothiazoles
risperidone	[no description available]	medium	1	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
ritanserin	[no description available]	medium	1	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone	[no description available]	medium	1	0	methoxybenzenes
rolipram	[no description available]	medium	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
salmeterol xinafoate	[no description available]	medium	1	0	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
sb 202190	[no description available]	medium	1	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sobuzoxane	[no description available]	medium	1	0	organic molecular entity
spiroxatrine	[no description available]	medium	1	0	imidazolidines
sq 22536	[no description available]	medium	1	0	nucleoside analogue; oxolanes	EC 4.6.1.1 (adenylate cyclase) inhibitor
sulfaphenazole	[no description available]	medium	1	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
sulpiride	[no description available]	medium	1	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
t0156	[no description available]	medium	1	0	naphthyridine derivative
1,4-bis(2-(3,5-dichloropyridyloxy))benzene	[no description available]	medium	1	0
terfenadine	[no description available]	medium	1	0	diarylmethane
tetraisopropylpyrophosphamide	[no description available]	medium	1	0	phosphoramide
thalidomide	[no description available]	medium	2	0	phthalimides; piperidones
thalidomide	[no description available]	medium	2	1	phthalimides; piperidones
theobromine	[no description available]	medium	1	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate	[no description available]	medium	1	0	trihydroxybenzoic acid
tolazamide	[no description available]	medium	1	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	1	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid	[no description available]	medium	1	0
ici 136,753	[no description available]	medium	1	0	pyrazolopyridine
triamterene	[no description available]	medium	1	0	pteridines	diuretic; sodium channel blocker
trimethoprim	[no description available]	medium	1	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
tropicamide	[no description available]	medium	1	0	acetamides
tyrphostin a9	[no description available]	medium	1	0	alkylbenzene	geroprotector
vigabatrin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine	[no description available]	medium	1	0
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	medium	1	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zardaverine	[no description available]	medium	1	0	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
cortisone acetate	[no description available]	medium	1	0	corticosteroid hormone
corticosterone	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
reserpine	[no description available]	medium	1	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
procaine hydrochloride	[no description available]	medium	1	0	organic molecular entity
isoproterenol hydrochloride	[no description available]	medium	1	0	catechols
histamine dihydrochloride	[no description available]	medium	1	0
carbachol	[no description available]	medium	1	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
spironolactone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
estrone	[no description available]	medium	1	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone	[no description available]	medium	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
promazine hydrochloride	[no description available]	medium	1	0	hydrochloride
pilocarpine hydrochloride	[no description available]	medium	1	0	hydrochloride
dimethylphenylpiperazinium iodide	[no description available]	medium	1	0	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
pentylenetetrazole	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
racepinephrine hydrochloride	[no description available]	medium	1	0
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride	[no description available]	medium	1	0
hexamethonium bromide	[no description available]	medium	1	0
cystamine dihydrochloride	[no description available]	medium	1	0
cantharidin	[no description available]	medium	1	0	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide
tetraethylammonium chloride	[no description available]	medium	1	0	organic chloride salt; quaternary ammonium salt	potassium channel blocker
aspartic acid	[no description available]	medium	1	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine	[no description available]	medium	1	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
vincristine	[no description available]	medium	1	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
physostigmine	[no description available]	medium	1	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
apomorphine	[no description available]	medium	1	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
promethazine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
bromodeoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
levodopa	[no description available]	medium	1	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
methoxamine hydrochloride	[no description available]	medium	1	0	dimethoxybenzene
papaverine hydrochloride	[no description available]	medium	1	0
bretylium tosylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
berlition	[no description available]	medium	1	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
methacholine chloride	[no description available]	medium	1	0	quaternary ammonium salt
androstenedione	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
colchicine	[no description available]	medium	1	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
yohimbine hydrochloride	[no description available]	medium	1	0
gallamine triethiodide	[no description available]	medium	1	0
cycloheximide	[no description available]	medium	1	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
egtazic acid	[no description available]	medium	1	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
cycloserine	[no description available]	medium	1	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
17-alpha-hydroxyprogesterone	[no description available]	medium	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
quinacrine monohydrochloride	[no description available]	medium	1	0
chlorpromazine hydrochloride	[no description available]	medium	1	0	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
cytarabine hydrochloride	[no description available]	medium	1	0
tryptophan	[no description available]	medium	1	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
lidocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; local anaesthetic
arginine	[no description available]	medium	4	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
rotenone	[no description available]	medium	1	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
synephrine	[no description available]	medium	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
pyridostigmine bromide	[no description available]	medium	1	0	pyridinium salt
imipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
neostigmine bromide	[no description available]	medium	1	0	bromide salt
edrophonium chloride	[no description available]	medium	1	0	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
suramin sodium	[no description available]	medium	1	0	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
pyrazolanthrone	[no description available]	medium	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
methapyrilene hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
tetrracaine hydrochloride	[no description available]	medium	1	0	benzoate ester
chelidamic acid	[no description available]	medium	1	0
2-chloroadenosine	[no description available]	medium	1	0	purine nucleoside
diphenhydramine hydrochloride	[no description available]	medium	1	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
cysteamine hydrochloride	[no description available]	medium	1	0
propantheline bromide	[no description available]	medium	1	0	xanthenes
hydralazine hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; vasodilator agent
ethamivan	[no description available]	medium	1	0	methoxybenzenes; phenols
pargyline hydrochloride	[no description available]	medium	1	0
aminophylline	[no description available]	medium	1	0	mixture	bronchodilator agent; cardiotonic drug
azacitidine	[no description available]	medium	2	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
orphenadrine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
betamethasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide	[no description available]	medium	1	0
cyproterone acetate	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
bicuculline	[no description available]	medium	1	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
kainic acid	[no description available]	medium	1	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
podophyllotoxin	[no description available]	medium	1	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
tetrahydrozoline hydrochloride	[no description available]	medium	1	0	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
dequalinium chloride	[no description available]	medium	1	0	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
decamethonium dibromide	[no description available]	medium	1	0
amitriptyline hydrochloride	[no description available]	medium	1	0	organic tricyclic compound
naphazoline hydrochloride	[no description available]	medium	1	0	organic molecular entity
doxylamine succinate	[no description available]	medium	1	0	organic molecular entity
carbamylhydrazine monohydrochloride	[no description available]	medium	1	0	organic molecular entity
formestane	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
debrisoquin sulfate	[no description available]	medium	1	0	organic sulfate salt
betaine hydrochloride	[no description available]	medium	1	0
bethanechol chloride	[no description available]	medium	1	0	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
acetylcysteine	[no description available]	medium	1	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
Mecamylamine hydrochloride	[no description available]	medium	1	0	monoterpenoid
vinblastine	[no description available]	medium	1	0
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	1	0	hydrochloride
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	medium	1	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
pimozide	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
azetidyl-2-carboxylic acid	[no description available]	medium	1	0	azetidine-2-carboxylic acid
muscarine	[no description available]	medium	1	0
antazoline hydrochloride	[no description available]	medium	1	0
doxifluridine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
meclofenoxate hydrochloride	[no description available]	medium	1	0
clonidine hydrochloride	[no description available]	medium	1	0	dichlorobenzene
beclomethasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
buthionine sulfoximine	[no description available]	medium	2	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
mexiletine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
cyclophosphamide	[no description available]	medium	1	0	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent
suxamethonium chloride	[no description available]	medium	1	0	chloride salt	muscle relaxant
cyclobenzaprine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; muscle relaxant
n-methylaspartate	[no description available]	medium	1	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
3-deazaadenosine	[no description available]	medium	1	0
metoclopramide hydrochloride	[no description available]	medium	1	0
isoetharine mesylate	[no description available]	medium	1	0
zalcitabine	[no description available]	medium	2	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
propionylpromazine hydrochloride	[no description available]	medium	1	0
camptothecin	[no description available]	medium	6	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
camptothecin	[no description available]	medium	6	1	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
nsc-145,668	[no description available]	medium	1	0	hydrochloride	antimetabolite; antineoplastic agent
clodronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
benserazide hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pancuronium bromide	[no description available]	medium	1	0	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
tetradecanoylphorbol acetate	[no description available]	medium	1	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
danazol	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
metergoline	[no description available]	medium	1	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
lisuride	[no description available]	medium	1	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
disopyramide phosphate	[no description available]	medium	1	0	organoammonium phosphate
bromocriptine	[no description available]	medium	1	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
ergocristine	[no description available]	medium	1	0	ergot alkaloid
triamcinolone	[no description available]	medium	1	0	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
zidovudine	[no description available]	medium	2	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
paclitaxel	[no description available]	medium	4	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
buspirone hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
etoposide	[no description available]	medium	1	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
propafenone hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
etazolate hydrochloride	[no description available]	medium	1	0
butaclamol	[no description available]	medium	1	0	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist
ribavirin	[no description available]	medium	1	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
carbidopa	[no description available]	medium	1	0	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
cephradine	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
methyldopa	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
lonidamine	[no description available]	medium	1	0	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
dexibuprofen	[no description available]	medium	1	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
quisqualic acid	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid
pirfenidone	[no description available]	medium	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flecainide acetate	[no description available]	medium	1	0	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	1	0	dihydropyridine	geroprotector
idarubicin	[no description available]	medium	1	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
captopril	[no description available]	medium	1	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
terazosin hydrochloride anhydrous	[no description available]	medium	1	0
pergolide mesylate	[no description available]	medium	1	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
ranitidine hydrochloride	[no description available]	medium	1	0
colforsin	[no description available]	medium	1	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
cefaclor anhydrous	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
alo 2145	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; antiglaucoma drug
enoximone	[no description available]	medium	1	0	aromatic ketone
atomoxetine	[no description available]	medium	1	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
raloxifene hydrochloride	[no description available]	medium	1	0	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
mifepristone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
quinpirole hydrochloride	[no description available]	medium	1	0
imazodan	[no description available]	medium	1	0
mibefradil dihydrochloride	[no description available]	medium	1	0
aptiganel hydrochloride	[no description available]	medium	1	0
adenosine	[no description available]	medium	1	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
phenelzine sulfate	[no description available]	medium	1	0	organic molecular entity
fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
propranolol hydrochloride	[no description available]	medium	1	0	hydrochloride
bupropion hydrochloride	[no description available]	medium	1	0	aromatic ketone
diltiazem hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
trazodone hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	1	0
doxazosin mesylate	[no description available]	medium	1	0	methanesulfonate salt	geroprotector
amantadine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
mevastatin	[no description available]	medium	1	0	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
chloroquine diphosphate	[no description available]	medium	1	0
dobutamine hydrochloride	[no description available]	medium	1	0	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
desipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	drug allergen
dopamine hydrochloride	[no description available]	medium	1	0	catecholamine
proadifen hydrochloride	[no description available]	medium	1	0
4-nitrobenzylthioinosine	[no description available]	medium	1	0	purine nucleoside
metrifudil	[no description available]	medium	1	0
rutecarpine	[no description available]	medium	1	0	beta-carbolines
trihexyphenidyl hydrochloride	[no description available]	medium	1	0	aralkylamine
thioridazine hydrochloride	[no description available]	medium	1	0	hydrochloride	first generation antipsychotic; geroprotector
procainamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
siquil	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent
sotalol hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist
oxymetazoline hydrochloride	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
alprenolol hydrochloride	[no description available]	medium	1	0	hydrochloride
2-methoxyestradiol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
fluphenazine hydrochloride	[no description available]	medium	1	0	phenothiazines	anticoronaviral agent
tryptamine monohydrochloride	[no description available]	medium	1	0
clomipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
amiloride hydrochloride	[no description available]	medium	1	0	hydrate	diuretic; sodium channel blocker
prazosin hydrochloride	[no description available]	medium	1	0	hydrochloride
mianserin hydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
lomefloxacin hydrochloride	[no description available]	medium	1	0	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
fenspiride hydrochloride	[no description available]	medium	1	0
nilverm	[no description available]	medium	1	0	organic molecular entity
sanguinarine chloride	[no description available]	medium	1	0
ropinirole hydrochloride	[no description available]	medium	1	0	indoles
plasmenylserine	[no description available]	medium	1	0	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5-aminovaleric acid hydrochloride	[no description available]	medium	1	0
n-acetyltryptamine	[no description available]	medium	1	0	acetamides; indoles
D-serine	[no description available]	medium	1	0	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
dihydroergotamine mesylate	[no description available]	medium	1	0	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
ranolazine hydrochloride	[no description available]	medium	1	0
loxapine succinate	[no description available]	medium	1	0	succinate salt	geroprotector
guanfacine hydrochloride	[no description available]	medium	1	0	acetamides	geroprotector
pirenzepine dihydrochloride	[no description available]	medium	1	0	hydrochloride
labetalol hydrochloride	[no description available]	medium	1	0	salicylamides
acecainide hydrochloride	[no description available]	medium	1	0
loperamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
maprotiline hydrochloride	[no description available]	medium	1	0	anthracenes
protoporphyrin ix, disodium salt	[no description available]	medium	1	0
siguazodan	[no description available]	medium	1	0	pyridazinone
3-octadecanamido-2-ethoxypropylphosphocholine	[no description available]	medium	1	0
chelerythrine chloride	[no description available]	medium	1	0
tosyllysine chloromethyl ketone	[no description available]	medium	1	0
5-(n-methyl-n-isobutyl)amiloride	[no description available]	medium	1	0
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride	[no description available]	medium	1	0	hydrochloride	EC 2.7.11.13 (protein kinase C) inhibitor
amperozide hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
pyrrolidine dithiocarbamic acid	[no description available]	medium	1	0
agroclavine	[no description available]	medium	1	0	ergot alkaloid
s-methylisothiourea sulfate	[no description available]	medium	1	0
p-Aminobenzamidine dihydrochloride	[no description available]	medium	1	0	organic molecular entity
benzamidine hydrochloride	[no description available]	medium	1	0
ketorolac tromethamine	[no description available]	medium	1	0	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
methionine sulfoximine	[no description available]	medium	1	0	L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector
tretazicar	[no description available]	medium	1	0
carbetapentane citrate	[no description available]	medium	1	0	carbonyl compound
phentolamine mesylate	[no description available]	medium	1	0
mephentermine	[no description available]	medium	1	0	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
oxybutynin hydrochloride	[no description available]	medium	1	0	hydrochloride
nimustine	[no description available]	medium	1	0	hydrochloride	antineoplastic agent
cordium	[no description available]	medium	1	0	hydrate; hydrochloride
L-2-aminoadipic acid	[no description available]	medium	1	0	2-aminoadipic acid	Escherichia coli metabolite; human metabolite
prilocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	local anaesthetic
mor-14	[no description available]	medium	1	0	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
brexanolone	[no description available]	medium	1	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
phenylisopropyladenosine	[no description available]	medium	1	0	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
hexamethonium chloride	[no description available]	medium	1	0
3-aminopropylphosphonic acid	[no description available]	medium	1	0	phosphonic acids; primary amino compound; zwitterion	GABAB receptor agonist
5'-n-methylcarboxamideadenosine	[no description available]	medium	1	0
3,7-dimethyl-1-propargylxanthine	[no description available]	medium	1	0
zpck	[no description available]	medium	1	0
n(6)-phenyladenosine	[no description available]	medium	1	0	purine nucleoside
tetrahydrodeoxycorticosterone	[no description available]	medium	1	0	21-hydroxy steroid
n-methyladenosine	[no description available]	medium	1	0	methyladenosine
mizoribine	[no description available]	medium	1	0	imidazoles	anticoronaviral agent
1-amino-1,3-dicarboxycyclopentane	[no description available]	medium	1	0
u 73122	[no description available]	medium	1	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
alphaxalone	[no description available]	medium	1	0	corticosteroid hormone
s-nitrosoglutathione	[no description available]	medium	1	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
cp-55,940	[no description available]	medium	1	0
vanoxerine	[no description available]	medium	1	0	hydrochloride	dopamine uptake inhibitor
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate	[no description available]	medium	1	0	beta-carbolines
u 69593	[no description available]	medium	1	0	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
cv 3988	[no description available]	medium	1	0
beta-carboline-3-carboxylic acid methyl ester	[no description available]	medium	1	0	beta-carbolines
methoctramine	[no description available]	medium	1	0	hydrochloride	muscarinic antagonist
hypotaurine	[no description available]	medium	1	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
dihydrokainate	[no description available]	medium	1	0	dicarboxylic acid
gabazine	[no description available]	medium	1	0
cl 218872	[no description available]	medium	1	0	pyridazines; ring assembly
betaxolol hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; beta-adrenergic antagonist
catechin	[no description available]	medium	1	0	hydrate	geroprotector
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine	[no description available]	medium	1	0	hydrobromide	serotonergic antagonist
s-methylthiocitrulline	[no description available]	medium	1	0	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
dihydrocapsaicin	[no description available]	medium	1	0	capsaicinoid
ml 9	[no description available]	medium	1	0
parthenolide	[no description available]	medium	1	0	germacranolide
3',4'-dichlorobenzamil	[no description available]	medium	1	0	guanidines; pyrazines
1-(carboxymethylthio)tetradecane	[no description available]	medium	1	0	straight-chain fatty acid
2-iodomelatonin	[no description available]	medium	1	0	acetamides
arcaine, sulfate	[no description available]	medium	1	0
gr 113808	[no description available]	medium	1	0	indolyl carboxylate ester; piperidines; sulfonamide	serotonergic antagonist
gallopamil hydrochloride	[no description available]	medium	1	0
gamma-glutamylaminomethylsulfonic acid	[no description available]	medium	1	0
buthionine sulfoximine	[no description available]	medium	1	0	2-amino-4-(S-butylsulfonimidoyl)butanoic acid	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
sb 204070a	[no description available]	medium	1	0
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist
l 655240	[no description available]	medium	1	0	methylindole
san 58035	[no description available]	medium	1	0
nnc 711	[no description available]	medium	1	0
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide	[no description available]	medium	1	0	diarylmethane
e 64	[no description available]	medium	1	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
azetidine-2,4-dicarboxylic acid	[no description available]	medium	1	0
pre 084	[no description available]	medium	1	0	morpholines
methotrexate	[no description available]	medium	3	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol	[no description available]	medium	1	0
sr 2640	[no description available]	medium	1	0	quinolines
ici 204448	[no description available]	medium	1	0
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride	[no description available]	medium	1	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	[no description available]	medium	1	0	phenylindole
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan	[no description available]	medium	1	0
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine	[no description available]	medium	1	0
l 741626	[no description available]	medium	1	0	piperidines
nisoxetine hydrochloride	[no description available]	medium	1	0
ng-nitroarginine methyl ester	[no description available]	medium	1	0	hydrochloride	EC 1.14.13.39 (nitric oxide synthase) inhibitor
tilarginine acetate	[no description available]	medium	1	0
alpha-guanidinoglutaric acid	[no description available]	medium	1	0	L-glutamic acid derivative
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer	[no description available]	medium	1	0
imidazole-4-acetic acid hydrochloride	[no description available]	medium	1	0
nsc-141549	[no description available]	medium	1	0
2-chloro-2-deoxyglucose	[no description available]	medium	1	0
idazoxan hydrochloride	[no description available]	medium	1	0
isoguvacine hydrochloride	[no description available]	medium	1	0
8-methoxymethyl-3-isobutyl-1-methylxanthine	[no description available]	medium	1	0	oxopurine
cyc 202	[no description available]	medium	1	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
Serotonin hydrochloride	[no description available]	medium	1	0	tryptamines
n-phthaloylglutamic acid	[no description available]	medium	1	0	L-glutamic acid derivative; phthalimides
1,3-dipropyl-7-methylxanthine	[no description available]	medium	1	0
ag 3-5	[no description available]	medium	1	0	C-nitro compound
n-n-propylnorapomorphine	[no description available]	medium	1	0	aporphine alkaloid
urapidil monohydrochloride	[no description available]	medium	1	0
aminopterin	[no description available]	medium	1	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
azepexole, dihydrochloride	[no description available]	medium	1	0
2,5-dimethoxy-4-iodoamphetamine hydrochloride	[no description available]	medium	1	0
abt 980	[no description available]	medium	1	0
sk&f 75670	[no description available]	medium	1	0
esatenolol	[no description available]	medium	1	0	atenolol	beta-adrenergic antagonist
nbi 27914	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
sb 216763	[no description available]	medium	1	0	indoles; maleimides
(R)-atenolol	[no description available]	medium	1	0	atenolol
memantine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
pefabloc	[no description available]	medium	1	0
pongidae	[no description available]	medium	1	0
succinylproline	[no description available]	medium	1	0	N-acyl-amino acid
sb 205384	[no description available]	medium	1	0	thienopyridine
hydrastine	[no description available]	medium	1	0	isoquinolines	metabolite
gabaculine hydrochloride	[no description available]	medium	1	0
etiron monohydrobromide	[no description available]	medium	1	0
bmy 7378	[no description available]	medium	1	0
vesamicol	[no description available]	medium	1	0
cortisone	[no description available]	medium	1	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
vincristine sulfate	[no description available]	medium	1	0	organic sulfate salt	antineoplastic agent; geroprotector
n-methylserotonin oxalate salt	[no description available]	medium	1	0
nsc 95397	[no description available]	medium	1	0	1,4-naphthoquinones
wortmannin	[no description available]	medium	1	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
lithium chloride	[no description available]	medium	1	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
canavanine	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
5-hydroxytryptophan	[no description available]	medium	1	0	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite
ouabain	[no description available]	medium	1	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
monoiodotyrosine	[no description available]	medium	1	0	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
nitroarginine	[no description available]	medium	1	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
willardiine	[no description available]	medium	1	0	amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid
cortodoxone	[no description available]	medium	1	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
amiodarone hydrochloride	[no description available]	medium	1	0	aromatic ketone
dicyclomine hydrochloride	[no description available]	medium	1	0	hydrochloride	antispasmodic drug; muscarinic antagonist
metyrosine	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
nortriptyline hydrochloride	[no description available]	medium	1	0	organic tricyclic compound	geroprotector
paromomycin sulfate	[no description available]	medium	1	0
Dubinidine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
cyclopamine	[no description available]	medium	1	0	piperidines	glioma-associated oncogene inhibitor
s-(4-azidophenacyl)glutathione	[no description available]	medium	1	0	peptide
hydroxylamine hydrochloride	[no description available]	medium	1	0	organic molecular entity
sb 228357	[no description available]	medium	1	0	indolyl carboxylic acid
3,5-dihydroxyphenylglycine	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols
actinonin	[no description available]	medium	1	0
vinpocetine	[no description available]	medium	1	0	alkaloid	geroprotector
dihydroergocristine monomesylate	[no description available]	medium	1	0	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
tretinoin	[no description available]	medium	2	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
resveratrol	[no description available]	medium	1	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
oleic acid	[no description available]	medium	1	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
thapsigargin	[no description available]	medium	1	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
brivudine	[no description available]	medium	1	0
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol	[no description available]	medium	1	0	carbotetracyclic compound; polyphenol	estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid	[no description available]	medium	1	0
adenosine-5'-(n-ethylcarboxamide)	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
L-cycloserine	[no description available]	medium	1	0	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
1,4-dideoxy-1,4-imino-d-arabinitol	[no description available]	medium	1	0
purvalanol a	[no description available]	medium	1	0	purvalanol
melphalan	[no description available]	medium	4	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
isoliquiritigenin	[no description available]	medium	1	0	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
rauwolscine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gw9662	[no description available]	medium	1	0	benzamides
calmidazolium	[no description available]	medium	1	0	organic chloride salt	apoptosis inducer; calmodulin antagonist
tropisetron hydrochloride	[no description available]	medium	1	0
Reactive blue 2	[no description available]	medium	1	0	anthraquinone
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one	[no description available]	medium	1	0	dichlorobenzene
quinidine sulfate	[no description available]	medium	1	0
ipratropium bromide anhydrous	[no description available]	medium	1	0
methamilane methiodide	[no description available]	medium	1	0
pilocarpine nitrate	[no description available]	medium	1	0
r 59949	[no description available]	medium	1	0	diarylmethane
n(6)-cyclopentyladenosine	[no description available]	medium	1	0
methylatropine nitrate	[no description available]	medium	1	0
sb 366791	[no description available]	medium	1	0
ag-213	[no description available]	medium	1	0
3,3',4,5'-tetrahydroxystilbene	[no description available]	medium	1	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
bemesetron	[no description available]	medium	1	0
(S)-(-)-pindolol	[no description available]	medium	1	0	pindolol
levosulpiride	[no description available]	medium	1	0	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
caffeic acid	[no description available]	medium	1	0	caffeic acid	geroprotector; mouse metabolite
4-fluorophenyl-L-alanine	[no description available]	medium	1	0	4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid
urocanic acid	[no description available]	medium	1	0	urocanic acid	human metabolite
cotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
cinnarizine	[no description available]	medium	1	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
sulindac	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
cysteine sulfinic acid	[no description available]	medium	1	0	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
d-ap7	[no description available]	medium	1	0
(1R,2S)-tranylcypromine hydrochloride	[no description available]	medium	1	0	hydrochloride
tacrine hydrochloride	[no description available]	medium	1	0
4-bromotetramisole, oxalate (1:1), salt(s)-isomer	[no description available]	medium	1	0
3-hydroxybenzylhydrazine hydrochloride	[no description available]	medium	1	0
1-(3-chlorophenyl)biguanide hydrochloride	[no description available]	medium	1	0
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer	[no description available]	medium	1	0
capsazepine	[no description available]	medium	1	0	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
diphenyleneiodium chloride	[no description available]	medium	1	0	organic chloride salt	EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist
azetidine-2,4-dicarboxylic acid, (cis)-isomer	[no description available]	medium	1	0
tamoxifen citrate	[no description available]	medium	1	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
pimagedine hydrochloride	[no description available]	medium	1	0
Betaine Aldehyde Chloride	[no description available]	medium	1	0	quaternary ammonium salt
eskazine	[no description available]	medium	1	0
monastrol	[no description available]	medium	1	0	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor
u 0126	[no description available]	medium	1	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
4-diphenylacetoxy-n-methylpiperidine methiodide	[no description available]	medium	1	0	iodide salt; quaternary ammonium salt	cholinergic antagonist; muscarinic antagonist
1-(4-hydroxybenzyl)imidazole-2-thiol	[no description available]	medium	1	0
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide	[no description available]	medium	1	0
bp 897	[no description available]	medium	1	0	naphthalenecarboxamide
trequinsin hydrochloride	[no description available]	medium	1	0
neboglamine	[no description available]	medium	1	0
benzatropine methanesulfonate	[no description available]	medium	1	0
sb 203186	[no description available]	medium	1	0	indolyl carboxylic acid
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea	[no description available]	medium	1	0	1,2-thiazoles; indoles; ureas	receptor modulator; serotonergic antagonist
gw 7647	[no description available]	medium	1	0	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
ro 41-0960	[no description available]	medium	1	0
cgp 13501	[no description available]	medium	1	0	alkylbenzene
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide	[no description available]	medium	1	0
brl 15572	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist
mrs 1523	[no description available]	medium	1	0
or486	[no description available]	medium	1	0
fg 9041	[no description available]	medium	1	0	quinoxaline derivative
iik7	[no description available]	medium	1	0
sb 415286	[no description available]	medium	1	0	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
dm 235	[no description available]	medium	1	0
jhw 015	[no description available]	medium	1	0	indolecarboxamide
bw 723c86	[no description available]	medium	1	0	tryptamines
sc 560	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
sc-19220	[no description available]	medium	1	0	aromatic ether
le 300	[no description available]	medium	1	0	indoles
ly 367265	[no description available]	medium	1	0	dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline	antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor
diclofenac sodium	[no description available]	medium	1	0	organic sodium salt
cgp 7930	[no description available]	medium	1	0	alkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	[no description available]	medium	1	0	phenols; pyrazoles	estrogen receptor agonist
sib 1757	[no description available]	medium	1	0
sphingosine	[no description available]	medium	1	0	sphing-4-enine	human metabolite; mouse metabolite
apigenin	[no description available]	medium	1	0	trihydroxyflavone	antineoplastic agent; metabolite
luteolin	[no description available]	medium	1	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
daphnetin	[no description available]	medium	1	0	hydroxycoumarin
genistein	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
pulmicort	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
timolol maleate	[no description available]	medium	1	0	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	1	0	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	1	0	organic molecular entity
clemastine fumarate	[no description available]	medium	1	0	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	1	0	ergoline alkaloid	geroprotector
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
harman	[no description available]	medium	1	0	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
morin	[no description available]	medium	1	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
myricetin	[no description available]	medium	1	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
daidzein	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
caffeic acid phenethyl ester	[no description available]	medium	1	0	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
rottlerin	[no description available]	medium	1	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
flupenthixol	[no description available]	medium	1	0	flupenthixol	dopaminergic antagonist
n-oleoyldopamine	[no description available]	medium	1	0	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist
pheniramine maleate	[no description available]	medium	1	0	organic molecular entity
tranilast	[no description available]	medium	1	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
trimipramine maleate	[no description available]	medium	1	0	maleate salt	antidepressant
isotretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
xylometazoline hydrochloride	[no description available]	medium	1	0
flunarizine hydrochloride	[no description available]	medium	1	0	diarylmethane
ketotifen fumarate	[no description available]	medium	1	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
cis-flupenthixol dihydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
n-arachidonylglycine	[no description available]	medium	1	0	fatty amide; N-acylglycine
n-oleoylethanolamine	[no description available]	medium	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
cyclosporine	[no description available]	medium	1	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
phenoxybenzamine hydrochloride	[no description available]	medium	1	0	organic molecular entity
phenylephrine hydrochloride	[no description available]	medium	1	0	hydrochloride
mepyramine maleate	[no description available]	medium	1	0
brefeldin a	[no description available]	medium	1	0	macrolide antibiotic	Penicillium metabolite
fenretinide	[no description available]	medium	2	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid	[no description available]	medium	1	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent
l-2-(carboxypropyl)glycine	[no description available]	medium	1	0
4-aminocrotonic acid	[no description available]	medium	1	0
denopamine	[no description available]	medium	1	0	dimethoxybenzene
l 655,708	[no description available]	medium	1	0
ro 41-1049	[no description available]	medium	1	0
sb 200646a	[no description available]	medium	1	0
seglitide	[no description available]	medium	1	0
sib 1893	[no description available]	medium	1	0
su 6656	[no description available]	medium	1	0
tyrphostin ag 555	[no description available]	medium	1	0
tyrphostin ag-494	[no description available]	medium	1	0
tyrphostin b44	[no description available]	medium	1	0
ag-490	[no description available]	medium	1	0	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
ag 112	[no description available]	medium	1	0
ag 183	[no description available]	medium	1	0
semaxinib	[no description available]	medium	2	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
8-(3-chlorostyryl)caffeine	[no description available]	medium	1	0	monochlorobenzenes; trimethylxanthine	adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085	[no description available]	medium	1	0	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
molsidomine	[no description available]	medium	1	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
diamide	[no description available]	medium	1	0	1,1'-azobis(N,N-dimethylformamide)
nomifensine maleate	[no description available]	medium	1	0
nalbuphine hydrochloride	[no description available]	medium	1	0	hydrochloride
isoalloxazine	[no description available]	medium	1	0	benzo[g]pteridine-2,4-dione
vinblastine sulfate	[no description available]	medium	1	0
n-methylscopolamine bromide	[no description available]	medium	1	0
dextromethorphan hydrobromide	[no description available]	medium	1	0	hydrate; hydrobromide
naloxone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
s-trans,trans-farnesylthiosalicylic acid	[no description available]	medium	1	0	sesquiterpenoid
sulindac sulfone	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
naltrexone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
guanabenz acetate	[no description available]	medium	1	0	dichlorobenzene	geroprotector
nylidrin hydrochloride	[no description available]	medium	1	0	alkylbenzene
triprolidine hydrochloride anhydrous	[no description available]	medium	1	0	hydrochloride	H1-receptor antagonist
famotidine	[no description available]	medium	1	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
fenoterol	[no description available]	medium	1	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
tiapridex	[no description available]	medium	1	0	benzamides
quipazine maleate	[no description available]	medium	1	0
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride	[no description available]	medium	1	0
tulobuterol hydrochloride	[no description available]	medium	1	0	organic molecular entity
hp 029	[no description available]	medium	1	0
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide	[no description available]	medium	1	0
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one	[no description available]	medium	1	0	naphthalenes
nf023	[no description available]	medium	1	0
nf 449	[no description available]	medium	1	0
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine	[no description available]	medium	1	0
gr 46611	[no description available]	medium	1	0
diacetylmonoxime	[no description available]	medium	1	0
homatropine hydrobromide, (endo-(+-)-isomer)	[no description available]	medium	1	0
vancomycin hydrochloride	[no description available]	medium	1	0
moxisylyte hydrochloride	[no description available]	medium	1	0	monoterpenoid
dizocilpine maleate	[no description available]	medium	1	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
beta-aminopropionitrile fumarate	[no description available]	medium	1	0
flupirtine	[no description available]	medium	1	0
zimelidine hydrochloride	[no description available]	medium	1	0
pregna-4,17-diene-3,16-dione, (17z)-isomer	[no description available]	medium	1	0
su 4312	[no description available]	medium	1	0
gw 1929	[no description available]	medium	1	0	benzophenones
protriptyline hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
n(4)-chloroacetylcytosine arabinoside	[no description available]	medium	1	0
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide	[no description available]	medium	1	0
n-(4-amino-2-chlorophenyl)phthalimide	[no description available]	medium	1	0
cb 34	[no description available]	medium	1	0
b 43	[no description available]	medium	1	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	0	aporphine alkaloid
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	0	aporphine alkaloid
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane	[no description available]	medium	1	0
2-(3,3-diphenylpropylamino)acetamide	[no description available]	medium	1	0	diarylmethane
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide	[no description available]	medium	1	0
gw2974	[no description available]	medium	1	0	pyridopyrimidine
l 162313	[no description available]	medium	1	0
l-165041	[no description available]	medium	1	0	aromatic ketone
mrs 1754	[no description available]	medium	1	0	oxopurine
s-nitroso-n-acetylpenicillamine	[no description available]	medium	1	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
pd 404182	[no description available]	medium	1	0
sb 222200	[no description available]	medium	1	0	quinolines
dantrolene sodium	[no description available]	medium	1	0
cr 2945	[no description available]	medium	1	0
sb 218795	[no description available]	medium	1	0	quinolines
dihydroceramide	[no description available]	medium	1	0	N-acylsphinganine
epinephrine bitartrate	[no description available]	medium	1	0
bicuculline methobromide	[no description available]	medium	1	0
butylscopolammonium bromide	[no description available]	medium	1	0
butaclamol hydrochloride	[no description available]	medium	1	0
a 38503	[no description available]	medium	1	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide	[no description available]	medium	1	0
sk&f 89976-a	[no description available]	medium	1	0
cv 1808	[no description available]	medium	1	0	purine nucleoside
fluvoxamine maleate	[no description available]	medium	1	0	(trifluoromethyl)benzenes
naloxone benzoylhydrazone	[no description available]	medium	1	0
2-methyl-6-(phenylethynyl)pyridine hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; metabotropic glutamate receptor antagonist
amiprilose	[no description available]	medium	1	0
(R)-fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
desmethylselegiline hydrochloride	[no description available]	medium	1	0
3-morpholino-sydnonimine monohydrochloride	[no description available]	medium	1	0
t 1032	[no description available]	medium	1	0
qx-314 bromide	[no description available]	medium	1	0
(S)-fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
sr 59230a	[no description available]	medium	1	0
u 74389g	[no description available]	medium	1	0
1-(2-methoxyphenyl)piperazine hydrochloride	[no description available]	medium	1	0
y 27632, dihydrochloride, (4(r)-trans)-isomer	[no description available]	medium	1	0
noscapine hydrochloride	[no description available]	medium	1	0
a 77636	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; dopamine agonist
cgp 20712a	[no description available]	medium	1	0
levodopa methyl ester hydrochloride	[no description available]	medium	1	0
benalfocin hydrochloride	[no description available]	medium	1	0
lu 19005	[no description available]	medium	1	0
benoxathian hydrochloride	[no description available]	medium	1	0
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer	[no description available]	medium	1	0
n-cyclopropyl adenosine-5'-carboxamide	[no description available]	medium	1	0
cefotaxime sodium	[no description available]	medium	1	0	organic sodium salt
calpain inhibitor iii	[no description available]	medium	1	0
GR 127935 hydrochloride	[no description available]	medium	1	0	hydrochloride	serotonergic antagonist
mrs 1845	[no description available]	medium	1	0
1-aminocyclopropane-1-carboxylic acid hydrochloride	[no description available]	medium	1	0
alaproclate hydrochloride	[no description available]	medium	1	0
ubenimex	[no description available]	medium	1	0	peptide
3-chloroalanine hydrochloride, (l-ala)-isomer	[no description available]	medium	1	0
dsp 4 hydrochloride	[no description available]	medium	1	0
calcimycin	[no description available]	medium	1	0	benzoxazole
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic antagonist
2-cyclooctyl-2-hydroxyethylamine hydrochloride	[no description available]	medium	1	0
cirazoline monohydrochloride	[no description available]	medium	1	0
adtn	[no description available]	medium	1	0
apocodeine hydrochloride, (r)-isomer	[no description available]	medium	1	0
Dihydro-beta-erythroidine hydrobromide	[no description available]	medium	1	0	indoles
lilly 78335	[no description available]	medium	1	0
efaroxan hydrochloride	[no description available]	medium	1	0
fenoldopam hydrobromide	[no description available]	medium	1	0
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride	[no description available]	medium	1	0	hydrochloride	dopamine uptake inhibitor
guvacine hydrochloride	[no description available]	medium	1	0
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide	[no description available]	medium	1	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,	[no description available]	medium	1	0	organic molecular entity
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one	[no description available]	medium	1	0	hydrochloride	receptor modulator; serotonergic antagonist
4-iodoclonidine	[no description available]	medium	1	0
4-methylpyrazole monohydrochloride	[no description available]	medium	1	0
tele-methylhistamine	[no description available]	medium	1	0
alpha-methyltyrosine methyl ester, monohydrochloride	[no description available]	medium	1	0
octoclothepine maleate	[no description available]	medium	1	0
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride	[no description available]	medium	1	0
du 24565	[no description available]	medium	1	0
2-methoxyidazoxan hydrochloride	[no description available]	medium	1	0
ro 25-6981	[no description available]	medium	1	0
sk&f 77434	[no description available]	medium	1	0	hydrobromide	dopamine agonist; prodrug
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
demethylcantharidin	[no description available]	medium	1	0
atropine sulfate	[no description available]	medium	1	0
1-deoxynojirimycin hydrochloride	[no description available]	medium	1	0
win 62577	[no description available]	medium	1	0
quinine sulfate	[no description available]	medium	1	0	hydrate
quercetin	[no description available]	medium	1	0
rv 538, (r-(r,r))-isomer	[no description available]	medium	1	0
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer	[no description available]	medium	1	0
valproate sodium	[no description available]	medium	1	0	organic sodium salt	geroprotector
u 63557a	[no description available]	medium	1	0
taurocholic acid, monosodium salt	[no description available]	medium	1	0	bile salt
cefmetazole sodium	[no description available]	medium	1	0	organic sodium salt	antimicrobial agent
fusidate sodium	[no description available]	medium	1	0
cephapirin sodium	[no description available]	medium	1	0	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin	[no description available]	medium	1	0	organic sodium salt
cefazolin sodium	[no description available]	medium	1	0	organic sodium salt
5-hydroxydecanoic acid, monosodium salt	[no description available]	medium	1	0
ro13-9904	[no description available]	medium	1	0
phenytoin sodium	[no description available]	medium	1	0
cr 1409	[no description available]	medium	1	0
cortisol succinate, sodium salt	[no description available]	medium	1	0	organic molecular entity
piroxicam	[no description available]	medium	1	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
lfm a13	[no description available]	medium	1	0	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor
l 701324	[no description available]	medium	1	0	quinolines
hispidin	[no description available]	medium	1	0	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite
minocycline hydrochloride	[no description available]	medium	1	0
demeclocycline hydrochloride	[no description available]	medium	1	0
acyclovir	[no description available]	medium	1	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
sepiapterin	[no description available]	medium	1	0	sepiapterin
isoxanthopterin	[no description available]	medium	1	0	dihydroxypteridine
clozapine	[no description available]	medium	1	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
ganciclovir	[no description available]	medium	1	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
zaprinast	[no description available]	medium	1	0	triazolopyrimidines
allopurinol	[no description available]	medium	2	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
thiolactomycin	[no description available]	medium	1	0
2,4-diaminohypoxanthine	[no description available]	medium	1	0	hydroxypyrimidine
quazinone	[no description available]	medium	1	0
8-bromocyclic gmp, sodium salt	[no description available]	medium	1	0	organic sodium salt	muscle relaxant; protein kinase G agonist
ag-879	[no description available]	medium	1	0
4-(3-chloroanilino)quinazoline	[no description available]	medium	1	0
N-[3-(trifluoromethyl)phenyl]-4-quinazolinamine	[no description available]	medium	1	0	quinazolines
n(6),n(6)-dimethyladenine	[no description available]	medium	1	0	tertiary amine
6-methylthioguanine	[no description available]	medium	1	0	2-aminopurines; thiopurine	human xenobiotic metabolite
zaleplon	[no description available]	medium	2	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
carbazeran	[no description available]	medium	3	0
bibx 1382bs	[no description available]	medium	1	0	substituted aniline
hydralazine	[no description available]	medium	1	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
midazolam	[no description available]	medium	1	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
propranolol	[no description available]	medium	1	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
n-(2'-(dimethylamino)ethyl)acridine-4-carboxamide	[no description available]	medium	1	0
naloxone	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
dextromethorphan	[no description available]	medium	1	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
zoniporide	[no description available]	medium	1	0
2-methyladenosine	[no description available]	medium	1	0	methyladenosine
9-benzyl-2-chloro-6-(2-furyl)purine	[no description available]	medium	1	0
9-amino-6-chloro-2-methoxyacridine	[no description available]	medium	1	0
guanine	[no description available]	medium	323	28	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ly-2157299	[no description available]	medium	1	0	aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines	antineoplastic agent; TGFbeta receptor antagonist
alpha-aminopyridine	[no description available]	medium	1	0
abemaciclib	[no description available]	medium	1	0
dantrolene	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione	muscle relaxant; neuroprotective agent; ryanodine receptor antagonist
molybdenum cofactor	[no description available]	medium	1	0	Mo-molybdopterin cofactor; organophosphate oxoanion
pteridines	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines
irinotecan	[no description available]	medium	6	1	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
benzydamine	[no description available]	medium	1	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
boranes	[no description available]	medium	1	1	boranes; mononuclear parent hydride
zinc chloride	[no description available]	medium	2	1	inorganic chloride; zinc molecular entity	astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid
strontium	[no description available]	medium	1	1	alkaline earth metal atom
titanium	[no description available]	medium	1	1	titanium group element atom
n-acetylmannosamine	[no description available]	medium	1	1
tannins	[no description available]	medium	1	1
furaldehyde	[no description available]	medium	1	1	aldehyde; furans	Maillard reaction product; metabolite
erbium	[no description available]	medium	1	1	f-block element atom; lanthanoid atom
chromium	[no description available]	medium	1	1	chromium cation; monoatomic hexacation
yttrium	[no description available]	medium	1	1	d-block element atom; rare earth metal atom; scandium group element atom
ytterbium	[no description available]	medium	1	1	f-block element atom; lanthanoid atom
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione	[no description available]	medium	1	1	benzenes; thiadiazolidine	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
fluorides	[no description available]	medium	1	1	halide anion; monoatomic fluorine
losartan potassium	[no description available]	medium	2	1
formaldehyde	[no description available]	medium	2	1	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
diclofenac	[no description available]	medium	1	1	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
coenzyme q10	[no description available]	medium	1	1	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
butyric acid	[no description available]	medium	1	1	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
5-hydroxymethylfurfural	[no description available]	medium	1	1	arenecarbaldehyde; furans; primary alcohol	indicator; Maillard reaction product
sucrose	[no description available]	medium	1	1	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
chromium	[no description available]	medium	1	1	chromium group element atom; metal allergen	micronutrient
letrozole	[no description available]	medium	1	1	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
ubiquinone	[no description available]	medium	1	1
menaquinone 6	[no description available]	medium	1	1
menaquinone 7	[no description available]	medium	1	1	menaquinone	bone density conservation agent; cofactor; Escherichia coli metabolite; human blood serum metabolite; Mycoplasma genitalium metabolite
apremilast	[no description available]	medium	1	1	aromatic ether; N-acetylarylamine; phthalimides; sulfone	non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
chlorine	[no description available]	medium	2	1	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
glycolipids	[no description available]	medium	1	1
fluorodeoxyglucose f18	[no description available]	medium	1	1	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
ubiquinone 8	[no description available]	medium	1	1	ubiquinones	biomarker
meso-1,2-diphenylethylenediamine, (r-(r,s))-isomer	[no description available]	medium	1	1
yttrium radioisotopes	[no description available]	medium	1	1
carbamates	[no description available]	medium	1	0	amino-acid anion
methylnitronitrosoguanidine	[no description available]	medium	19	0	nitroso compound	alkylating agent
dacarbazine	[no description available]	medium	62	9	dacarbazine
guanosine triphosphate	[no description available]	medium	1	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
1,3-butadiene	[no description available]	medium	1	0	butadiene	carcinogenic agent; mutagen
diepoxybutane	[no description available]	medium	1	0	epoxide	mutagen
ethylene dibromide	[no description available]	medium	2	0	bromoalkane; bromohydrocarbon	algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen
ethylnitrosourea	[no description available]	medium	11	0	N-nitrosoureas	alkylating agent; carcinogenic agent; genotoxin; mutagen
deoxyguanosine	[no description available]	medium	7	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxycytidine	[no description available]	medium	2	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
catechin	[no description available]	medium	1	0	catechin	antioxidant; plant metabolite
epigallocatechin gallate	[no description available]	medium	1	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
epicatechin gallate	[no description available]	medium	1	0	catechin; gallate ester; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
gemcitabine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
phthalocyanine	[no description available]	medium	1	0	phthalocyanines; tetrapyrrole fundamental parent
isopropylmethanesulfonate	[no description available]	medium	1	0
dapi	[no description available]	medium	1	0	indoles	fluorochrome
cytosine	[no description available]	medium	1	0	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
mitotracker green fm	[no description available]	medium	1	0
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene	[no description available]	medium	2	0	BODIPY compound
ethacrynic acid	[no description available]	medium	2	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
platinum	[no description available]	medium	2	0	elemental platinum; nickel group element atom; platinum group metal atom
carboplatin	[no description available]	medium	2	0
indo-1	[no description available]	medium	1	0	indoles	fluorochrome
rifampin	[no description available]	medium	1	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
glycine	[no description available]	medium	2	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
3-iodobenzylguanidine	[no description available]	medium	1	0	organoiodine compound
azides	[no description available]	medium	1	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
4-amino-3-iodobenzylguanidine	[no description available]	medium	1	0
laromustine	[no description available]	medium	3	0
hydrazine	[no description available]	medium	3	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
phytochlorin	[no description available]	medium	1	0
phosphoserine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	human metabolite
tamoxifen	[no description available]	medium	2	0	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
4-(acetoxymethylnitrosamino)-1-(3-pyridyl)-1-butanone	[no description available]	medium	2	0
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone	[no description available]	medium	2	0	nitrosamine; pyridines
phosphoramide mustard	[no description available]	medium	1	0	nitrogen mustard; phosphorodiamide
ifosfamide	[no description available]	medium	1	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
fotemustine	[no description available]	medium	3	0	N-nitrosoureas; organic phosphonate; organochlorine compound
fluorescein	[no description available]	medium	1	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
afimoxifene	[no description available]	medium	1	0	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite
diazomethane	[no description available]	medium	1	0	diazo compound	alkylating agent; antineoplastic agent; carcinogenic agent; poison
methyl methanesulfonate	[no description available]	medium	3	0	methanesulfonate ester	alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen
docetaxel anhydrous	[no description available]	medium	1	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
carbon monoxide	[no description available]	medium	1	1	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
methyl isocyanate	[no description available]	medium	1	0	isocyanates	allergen; apoptosis inducer
cyanates	[no description available]	medium	1	0
alpha-naphthoflavone	[no description available]	medium	1	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor
nu 1025	[no description available]	medium	1	0	phenols; quinazolines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
ku 55933	[no description available]	medium	1	0
quinazolines	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
curcumin	[no description available]	medium	1	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
cadmium chloride	[no description available]	medium	1	0	cadmium coordination entity
methoxyamine	[no description available]	medium	1	0	organooxygen compound
nimustine	[no description available]	medium	7	0	aminopyrimidine; N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
8-hydroxyguanine	[no description available]	medium	3	1	oxopurine
methylnitrosourea	[no description available]	medium	7	0	N-nitrosoureas	alkylating agent; carcinogenic agent; mutagen; teratogenic agent
alanine	[no description available]	medium	2	0	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
procarbazine	[no description available]	medium	1	0	benzamides; hydrazines	antineoplastic agent
cremophor el	[no description available]	medium	1	0
glycerol	[no description available]	medium	1	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
1-(2-chloroethyl)-1-nitrosourea	[no description available]	medium	5	0
s-benzylcysteine	[no description available]	medium	1	0
cysteine	[no description available]	medium	3	0	cysteinium	fundamental metabolite
mafosfamide	[no description available]	medium	1	0
1,2-dimethylhydrazine	[no description available]	medium	1	0	hydrazines	alkylating agent; carcinogenic agent
thymidine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
7-methylguanine	[no description available]	medium	1	0	7-methylguanine
o-methylthymidine	[no description available]	medium	1	0
dimethylhydrazines	[no description available]	medium	1	0
lomustine	[no description available]	medium	6	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
ethyl methanesulfonate	[no description available]	medium	2	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent
thymidine 5'-triphosphate	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside 5'-triphosphate; thymidine phosphate	Escherichia coli metabolite; mouse metabolite
aphidicolin glycinate	[no description available]	medium	1	0
aphidicolin	[no description available]	medium	1	0	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite
phenobarbital	[no description available]	medium	1	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
acetonitrile	[no description available]	medium	1	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
methanol	[no description available]	medium	1	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
methyl iodide	[no description available]	medium	1	0	iodomethanes; methyl halides	fumigant insecticide
hygromycin a	[no description available]	medium	1	0	hydroxycinnamic acid	metabolite
hygromycin b	[no description available]	medium	1	0
mitozolomide	[no description available]	medium	2	0
thioguanine anhydrous	[no description available]	medium	1	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
oligonucleotides	[no description available]	medium	2	0
uridine diphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
bilirubin	[no description available]	medium	1	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
4-nitrophenol	[no description available]	medium	1	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
nitrophenols	[no description available]	medium	1	0
tyrosine	[no description available]	medium	2	0	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
threonine	[no description available]	medium	1	0	amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
phenylalanine	[no description available]	medium	1	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
glutamic acid	[no description available]	medium	1	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
o-4-methylthymine	[no description available]	medium	3	0	aromatic ether; methylthymine	human metabolite
thymine	[no description available]	medium	3	0	pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite
histidine	[no description available]	medium	1	0	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
azoxymethane	[no description available]	medium	1	0
lysine	[no description available]	medium	1	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
fludarabine	[no description available]	medium	1	0	purine nucleoside
vidarabine	[no description available]	medium	1	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
perfosfamide	[no description available]	medium	2	0
methylphosphonic acid	[no description available]	medium	1	0	one-carbon compound; phosphonic acids
busulfan	[no description available]	medium	1	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
methyl(acetoxymethyl)nitrosamine	[no description available]	medium	1	0
dimethylnitrosamine	[no description available]	medium	1	0	nitrosamine	geroprotector; mutagen
pyrroles	[no description available]	medium	1	0	pyrrole; secondary amine
elmustine	[no description available]	medium	1	0
clomesone	[no description available]	medium	2	0
semustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent

Article	Year
SNAP-tag technology mediates site specific conjugation of antibody fragments with a photosensitizer and improves target specific phototoxicity in tumor cells. Bioconjugate chemistry, Dec-21, Volume: 22, Issue: 12	2011
Humanized bone marrow mouse model as a preclinical tool to assess therapy-mediated hematotoxicity. Clinical cancer research : an official journal of the American Association for Cancer Research, Apr-15, Volume: 17, Issue: 8	2011
Influence of cell cycle checkpoints and p53 function on the toxicity of temozolomide in human pancreatic cancer cells. Pancreatology : official journal of the International Association of Pancreatology (IAP) ... [et al.], Volume: 10, Issue: 5	2010
Enhancement of cisplatin [cis-diammine dichloroplatinum (II)] cytotoxicity by O6-benzylguanine involves endoplasmic reticulum stress. The Journal of pharmacology and experimental therapeutics, Volume: 327, Issue: 2	2008
Role of O6-methylguanine-DNA methyltransferase in protecting from alkylating agent-induced toxicity and mutations in mice. Carcinogenesis, Volume: 28, Issue: 5	2007
Role of GADD34 in modulation of cisplatin cytotoxicity. Biochemical pharmacology, Jan-12, Volume: 71, Issue: 3	2006
Cytotoxicity, DNA damage, and apoptosis induced by new fotemustine analogs on human melanoma cells in relation to O6-methylguanine DNA-methyltransferase expression. The Journal of pharmacology and experimental therapeutics, Volume: 307, Issue: 2	2003
Enhancement of platinum-induced cytotoxicity by O6-benzylguanine. Molecular cancer therapeutics, Volume: 2, Issue: 7	2003
Selective enhancement of ifosfamide-induced toxicity in Chinese hamster ovary cells. Cancer chemotherapy and pharmacology, Volume: 52, Issue: 4	2003
Delayed repletion of O6-methylguanine-DNA methyltransferase resulting in failure to protect the human glioblastoma cell line SF767 from temozolomide-induced cytotoxicity. Journal of neurosurgery, Volume: 98, Issue: 3	2003
Effect of O6-benzylguanine on nitrogen mustard-induced toxicity, apoptosis, and mutagenicity in Chinese hamster ovary cells. Molecular cancer therapeutics, Volume: 1, Issue: 1	2001
Toxicity of intracranial and intraperitoneal O6-benzyl guanine in combination with BCNU delivered locally in a mouse model. Cancer chemotherapy and pharmacology, Volume: 50, Issue: 5	2002
The effectiveness of the O(6)-alkylguanine-DNA alkyltransferase encoded by the ogt(ST) gene from S. typhimurium in protection against alkylating drugs, resistance to O(6)-benzylguanine and sensitisation to dibromoalkane genotoxicity. Mutation research, Oct-18, Volume: 497, Issue: 1-2	2001
O6-Benzylguanine potentiates BCNU but not busulfan toxicity in hematopoietic stem cells. Experimental hematology, Volume: 29, Issue: 5	2001
Resistance-modifying agents. 8. Inhibition of O(6)-alkylguanine-DNA alkyltransferase by O(6)-alkenyl-, O(6)-cycloalkenyl-, and O(6)-(2-oxoalkyl)guanines and potentiation of temozolomide cytotoxicity in vitro by O(6)-(1-cyclopentenylmethyl)guanine. Journal of medicinal chemistry, Nov-02, Volume: 43, Issue: 22	2000
Effect of O6-benzylguanine on alkylating agent-induced toxicity and mutagenicity. In Chinese hamster ovary cells expressing wild-type and mutant O6-alkylguanine-DNA alkyltransferases. Cancer research, Oct-01, Volume: 60, Issue: 19	2000
Protection of committed murine haemopoietic progenitors against BCNU toxicity does not predict protection of primitive, multipotent spleen colony-forming cells - implications for chemoprotective gene therapy. Leukemia, Volume: 13, Issue: 11	1999
Influence of O6-benzylguanine on the anti-tumour activity and normal tissue toxicity of 1,3-bis(2-chloroethyl)-1-nitrosourea and molecular combinations of 5-fluorouracil and 2-chloroethyl-1-nitrosourea in mice. British journal of cancer, Volume: 79, Issue: 9-10	1999
Retroviral transfer of a bacterial alkyltransferase gene into murine bone marrow protects against chloroethylnitrosourea cytotoxicity. Clinical cancer research : an official journal of the American Association for Cancer Research, Volume: 1, Issue: 11	1995
Retroviral transfer of a bacterial alkyltransferase gene (ada) into human bone marrow cells protects against O6-benzylguanine plus 1, 3-bis(2-chloroethyl)-1-nitrosourea cytotoxicity. Clinical cancer research : an official journal of the American Association for Cancer Research, Volume: 3, Issue: 2	1997
Chemoprotective gene transfer I: transduction of human haemopoietic progenitors with O6-benzylguanine-resistant O6-alkylguanine-DNA alkyltransferase attenuates the toxic effects of O6-alkylating agents in vitro. Gene therapy, Volume: 5, Issue: 6	1998
Inhibition of human O6-alkylguanine-DNA alkyltransferase and potentiation of the cytotoxicity of chloroethylnitrosourea by 4(6)-(benzyloxy)-2,6(4)-diamino-5-(nitro or nitroso)pyrimidine derivatives and analogues. Journal of medicinal chemistry, Feb-12, Volume: 41, Issue: 4	1998
[Study on potentiation of nitrosourea-cytotoxicity by DNA repair enzyme inhibitors in human brain tumor cells]. No to shinkei = Brain and nerve, Volume: 49, Issue: 6	1997
O6-benzylguanine potentiates the in vivo toxicity and clastogenicity of temozolomide and BCNU in mouse bone marrow. Blood, Mar-01, Volume: 89, Issue: 5	1997
Protection of mammalian cells against chloroethylating agent toxicity by an O6-benzylguanine-resistant mutant of human O6-alkylguanine-DNA alkyltransferase. Gene therapy, Volume: 3, Issue: 10	1996
Cytotoxicity of fluoroethylating agents is potentiated by O6-benzylguanine. Biological & pharmaceutical bulletin, Volume: 19, Issue: 7	1996
Potentiation of temozolomide and BCNU cytotoxicity by O(6)-benzylguanine: a comparative study in vitro. British journal of cancer, Volume: 73, Issue: 4	1996
Depletion of O6-alkylguanine-DNA alkyltransferase correlates with potentiation of temozolomide and CCNU toxicity in human tumour cells. British journal of cancer, Volume: 67, Issue: 6	1993
The effects of O6-benzylguanine and hypoxia on the cytotoxicity of 1,3-bis(2-chloroethyl)-1-nitrosourea in nitrosourea-resistant SF-763 cells. Cancer chemotherapy and pharmacology, Volume: 32, Issue: 6	1993
Enhancing effect of O6-alkylguanine derivatives on chloroethylnitrosourea cytotoxicity toward tumor cells. International journal of cancer, Sep-01, Volume: 58, Issue: 5	1994
Extended depletion of O6-methylguanine-DNA methyltransferase activity following O6-benzyl-2'-deoxyguanosine or O6-benzylguanine combined with streptozotocin treatment enhances 1,3-bis(2-chloroethyl)-1-nitrosourea cytotoxicity. Cancer research, Aug-15, Volume: 54, Issue: 16	1994
Potential of O6-methylguanine or O6-benzylguanine in the enhancement of chloroethylnitrosourea cytotoxicity on brain tumours. Acta neurochirurgica, Volume: 128, Issue: 1-4	1994
O6-benzylguanine increases the sensitivity of human primary bone marrow cells to the cytotoxic effects of temozolomide. Experimental hematology, Volume: 23, Issue: 2	1995
Modulation of nitrosourea toxicity in rodent embryonic cells by O6-benzylguanine, a depletor of O6-methylguanine-DNA methyltransferase. Toxicology and applied pharmacology, Volume: 133, Issue: 1	1995
Effect of O6-benzylguanine analogues on sensitivity of human tumor cells to the cytotoxic effects of alkylating agents. Cancer research, Jul-01, Volume: 51, Issue: 13	1991
Modulation of ethylnitrosourea-induced toxicity and mutagenicity in human cells by O6-benzylguanine. Cancer research, Jul-15, Volume: 52, Issue: 14	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Pharmacokinetics of oral O6-benzylguanine and evidence of interaction with oral ketoconazole in the rat. Cancer chemotherapy and pharmacology, Volume: 46, Issue: 2	2000
O6-alkylguanine-DNA alkyltransferase inactivation by ester prodrugs of O6-benzylguanine derivatives and their rate of hydrolysis by cellular esterases. Biochemical pharmacology, May-15, Volume: 55, Issue: 10	1998
Biodistribution of O6-benzylguanine and its effectiveness against human brain tumor xenografts when given in polyethylene glycol or cremophor-EL. Cancer chemotherapy and pharmacology, Volume: 35, Issue: 2	1994
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Pharmacokinetics of temozolomide administered in combination with O6-benzylguanine in children and adolescents with refractory solid tumors. Cancer chemotherapy and pharmacology, Volume: 65, Issue: 1	2009
A single cycle of treatment with temozolomide, alone or combined with O(6)-benzylguanine, induces strong chemoresistance in melanoma cell clones in vitro: role of O(6)-methylguanine-DNA methyltransferase and the mismatch repair system. International journal of oncology, Volume: 29, Issue: 4	2006
Toxicity of intracranial and intraperitoneal O6-benzyl guanine in combination with BCNU delivered locally in a mouse model. Cancer chemotherapy and pharmacology, Volume: 50, Issue: 5	2002
Role of wild-type p53 on the antineoplastic activity of temozolomide alone or combined with inhibitors of poly(ADP-ribose) polymerase. The Journal of pharmacology and experimental therapeutics, Volume: 285, Issue: 2	1998
Extended depletion of O6-methylguanine-DNA methyltransferase activity following O6-benzyl-2'-deoxyguanosine or O6-benzylguanine combined with streptozotocin treatment enhances 1,3-bis(2-chloroethyl)-1-nitrosourea cytotoxicity. Cancer research, Aug-15, Volume: 54, Issue: 16	1994
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

o(6)-benzylguanine

Description

Cross-References

Synonyms (92)

Protein Targets (46)

Potency Measurements

Inhibition Measurements

Other Measurements

Biological Processes (118)

Molecular Functions (29)

Ceullar Components (44)

Bioassays (146)

Research

Studies (354)

Study Types

Clinical Trials (35)

Trial Overview

Trial Outcomes

Overall Response Rate

Duration of Response

Gene Transfer Efficiency After Chemotherapy

Gene Transfer Efficiency

Number of Participants Dose-limiting Toxicity (DLT)

Number of Participants That Survived

Number of Participants With Chemoprotection

Number of Participants With Chemoselection

Number of Participants With Retrovirus or Leukemia

Response Rate

Time to Progression

Toxicity as Assessed by the Common Terminology Criteria in Adverse Events (CTCAE v 3)

Number of Patients With Grade 3 or 4 Adverse Events at Least Possibly Related to the Combination of O6-benzylguanine and Temozolomide

Percentage of Participants With an Objective Response (Complete Response or Partial Response)

Research Highlights

Safety/Toxicity (38)

Pharmacokinetics (9)

Bioavailability (4)

Dosage (12)

Interactions (5)

Condition	Relationship Strength	Studies	Trials
Abnormalities, Autosome	low	1	0
Abnormalities, Chromosomal	low	1	0
Abnormalities, Chromosome	low	1	0
Acute Disease	medium	1	1
Acute Lymphoid Leukemia	low	1	0
Adult Periodontitis	medium	1	1
Affective Psychosis, Bipolar	medium	1	1
ALL, Childhood	low	1	0
Alveolar Bone Atrophy	medium	1	1
Alveolar Bone Loss	medium	1	1
Alveolar Process Atrophy	medium	1	1
Alveolar Resorption	medium	1	1
Anaplastic Astrocytoma	medium	2	1
Anemia	medium	1	1
Anemia, Cooley's	low	1	0
Anemia, Erythroblastic	low	1	0
Anemia, Fanconi	low	2	0
Anemia, Mediterranean	low	1	0
Ankylosing Spondylarthritis	medium	1	1
Ankylosing Spondylitis	medium	1	1
Ankylosing Spondyloarthritis	medium	1	1
Anovulation	medium	1	1
Anoxemia	low	1	0
Anoxia	low	1	0
Arachnoidal Cerebellar Sarcoma, Circumscribed	low	5	0
Arteriosclerosis, Coronary	medium	1	1
Astrocytoma	medium	2	1
Astrocytoma, Grade I	medium	2	1
Astrocytoma, Grade II	medium	2	1
Astrocytoma, Grade III	medium	2	1
Astrocytoma, Grade IV	medium	17	4
Astrocytoma, Protoplasmic	medium	2	1
Astrocytoma, Subependymal Giant Cell	medium	2	1
Astroglioma	medium	2	1
Atherosclerosis, Coronary	medium	1	1
Autosome Abnormalities	low	1	0
B16 Melanoma	low	3	0
Bacterial Infections, Gram-Negative	medium	1	1
Bare Lymphocyte Syndrome	low	1	0
Bechterew Disease	medium	1	1
Bechterew's Disease	medium	1	1
Benign Cerebellar Neoplasms	low	1	0
Benign Neoplasms	medium	21	7
Benign Neoplasms, Brain	medium	30	12
beta Thalassemia	low	1	0
beta-Thalassemia	low	1	0
Bipolar Disorder	medium	1	1
Bipolar Mood Disorder	medium	1	1
Blood Diseases	medium	1	1
Blood Pressure, High	medium	2	2
Body Weight	low	2	0
Bone Loss, Alveolar	medium	1	1
Bone Loss, Periodontal	medium	1	1
Bone Marrow Diseases	medium	2	1
Brain Cancer	medium	30	12
Brain Metastases	medium	30	12
Brain Neoplasm, Primary	medium	30	12
Brain Neoplasms	medium	30	12
Brain Neoplasms, Benign	medium	30	12
Brain Neoplasms, Malignant	medium	30	12
Brain Neoplasms, Malignant, Primary	medium	30	12
Brain Neoplasms, Primary Malignant	medium	30	12
Brain Stem Neoplasms	medium	1	1
Brain Stem Neoplasms, Primary	medium	1	1
Brain Stem Tumors	medium	1	1
Brain Tumor, Primary	medium	30	12
Brain Tumor, Recurrent	medium	30	12
Brain Tumors	medium	30	12
Brainstem Neoplasms	medium	1	1
Brainstem Neoplasms, Primary	medium	1	1
Brainstem Tumors	medium	1	1
Breast Cancer	medium	5	1
Breast Carcinoma	medium	5	1
Breast Neoplasms	medium	5	1
Breast Tumors	medium	5	1
Cancer	medium	21	7
Cancer of Brain	medium	30	12
Cancer of Breast	medium	5	1
Cancer of Colon	low	13	0
Cancer of Digestive System	medium	1	1
Cancer of Liver	low	1	0
Cancer of Lung	medium	6	1
Cancer of Mouth	low	2	0
Cancer of Ovary	low	1	0
Cancer of Pancreas	low	4	0
Cancer of Prostate	low	1	0
Cancer of Skin	medium	4	2
Cancer of Stomach	low	1	0
Cancer of the Brain	medium	30	12
Cancer of the Breast	medium	5	1
Cancer of the Colon	low	13	0
Cancer of the Digestive System	medium	1	1
Cancer of the Liver	low	1	0
Cancer of the Lung	medium	6	1
Cancer of the Mouth	low	2	0
Cancer of the Ovary	low	1	0
Cancer of the Pancreas	low	4	0
Cancer of the Prostate	low	1	0
Cancer of the Skin	medium	4	2
Cancer of the Stomach	low	1	0
Cancer of the Thyroid	medium	1	1
Cancer of Thyroid	medium	1	1
Cancer, Hepatocellular	low	1	0
Carcinoma	low	2	0
Carcinoma, Anaplastic	low	2	0
Carcinoma, Embryonal	low	1	0
Carcinoma, Epidermoid	low	1	0
Carcinoma, Hepatocellular	low	1	0
Carcinoma, Non-Small Cell Lung	low	1	0
Carcinoma, Non-Small-Cell Lung	low	1	0
Carcinoma, Planocellular	low	1	0
Carcinoma, Spindle-Cell	low	2	0
Carcinoma, Squamous	low	1	0
Carcinoma, Squamous Cell	low	1	0
Carcinoma, Undifferentiated	low	2	0
Carcinomatosis	low	2	0
Cell Transformation, Neoplastic	low	3	0
Cells, Neoplasm Circulating	medium	1	1
Central Nervous System Neoplasm	medium	6	3
Central Nervous System Neoplasms, Primary	medium	6	3
Central Nervous System Tumor	medium	6	3
Central Nervous System Tumors	medium	6	3
Cerebellar Cancer	low	1	0
Cerebellar Neoplasms	low	1	0
Cerebellar Neoplasms, Benign	low	1	0
Cerebellar Neoplasms, Malignant	low	1	0
Cerebellar Neoplasms, Primary	low	1	0
Cerebellar Tumors	low	1	0
Cerebral Astrocytoma	medium	2	1
Childhood Cerebral Astrocytoma	medium	2	1
Chromosomal Aberrations	low	1	0
Chromosome Aberrations	low	1	0
Chromosome Abnormalities	low	1	0
Chromosome-Defective Micronuclei	low	2	0
Chronic Disease	medium	1	1
Chronic Illness	medium	1	1
Chronic Periodontitis	medium	1	1
Chronically Ill	medium	1	1
Circulating Cells, Neoplasm	medium	1	1
Circulating Neoplastic Cells	medium	1	1
Circulating Tumor Cells	medium	1	1
CNS Neoplasm	medium	6	3
CNS Neoplasms	medium	6	3
Colon Cancer	low	13	0
Colon Cancer, Familial Nonpolyposis	low	1	0
Colon Neoplasms	low	13	0
Colonic Cancer	low	13	0
Colonic Neoplasms	low	13	0
Colorectal Cancer Hereditary Nonpolyposis	low	1	0
Colorectal Neoplasms, Hereditary Nonpolyposis	low	1	0
Congenital Zika Syndrome	low	1	0
Congenital Zika Virus Infection	low	1	0
Contact Dermatitis	low	1	0
Coronary Arteriosclerosis	medium	1	1
Coronary Artery Disease	medium	1	1
Coronary Atherosclerosis	medium	1	1
Crigler Najjar Syndrome	low	1	0
Crigler Najjar Syndrome, Type 1	low	1	0
Crigler-Najar Syndrome	low	1	0
Crigler-Najjar Syndrome	low	1	0
Crigler-Najjar Syndrome, Type I	low	1	0
Cross Infection	medium	1	1
Cutaneous T-Cell Lymphoma	medium	1	1
Cystadenocarcinoma, Serous	low	1	0
Cytogenetic Aberrations	low	1	0
Cytogenetic Abnormalities	low	1	0
Deficiency, Oxygen	low	1	0
Depression, Bipolar	medium	1	1
Dermatitis Venenata	low	1	0
Dermatitis, Contact	low	1	0
Di Guglielmo Disease	low	1	0
Di Guglielmo's Disease	low	1	0
Diabetes Mellitus	medium	1	1
Diabetes Mellitus, Adult-Onset	medium	1	1
Diabetes Mellitus, Gestational	medium	1	1
Diabetes Mellitus, Ketosis-Resistant	medium	1	1
Diabetes Mellitus, Maturity-Onset	medium	1	1
Diabetes Mellitus, Non Insulin Dependent	medium	1	1
Diabetes Mellitus, Non-Insulin-Dependent	medium	1	1
Diabetes Mellitus, Noninsulin Dependent	medium	1	1
Diabetes Mellitus, Noninsulin-Dependent	medium	1	1
Diabetes Mellitus, Slow-Onset	medium	1	1
Diabetes Mellitus, Stable	medium	1	1
Diabetes Mellitus, Type 2	medium	1	1
Diabetes Mellitus, Type II	medium	1	1
Diabetes, Gestational	medium	1	1
Diabetes, Pregnancy-Induced	medium	1	1
Digestive System Cancer	medium	1	1
Digestive System Neoplasms	medium	1	1
Disease Exacerbation	medium	2	2
Disease Models, Animal	low	5	0
Disease Progression	medium	2	2
Disease, Pulmonary	medium	1	1
Diseases, Pulmonary	medium	1	1
Eczema, Contact	low	1	0
Electrolytes	medium	1	1
Embolic Tumor Cells	medium	1	1
Embolism, Tumor	medium	1	1
Epithelial Neoplasms, Malignant	low	2	0
Epithelial Tumors, Malignant	low	2	0
Epithelioma	low	2	0
ER-Negative PR-Negative HER2-Negative Breast Cancer	low	1	0
ER-Negative PR-Negative HER2-Negative Breast Neoplasms	low	1	0
Erythremic Myelosis	low	1	0
Erythroblastic Anemia	low	1	0
Erythroblastic Leukemia, Acute	low	1	0
Erythrohepatic Protoporphyria	low	1	0
Erythroleukemia	low	1	0
Erythropoietic Protoporphyria	low	1	0
Experimental Mammary Neoplasms	low	1	0
Experimental Melanoma	low	3	0
Experimental Melanomas	low	3	0
Experimental Neoplasms	low	3	0
Familial Nonhemolytic Unconjugated Hyperbilirubinemia	low	1	0
Familial Nonmedullary Thyroid Cancer	medium	1	1
Familial Nonpolyposis Colon Cancer	low	1	0
Fanconi Anemia	low	2	0
Fanconi Hypoplastic Anemia	low	2	0
Fanconi Pancytopenia	low	2	0
Fanconi Panmyelopathy	low	2	0
Fanconi's Anemia	low	2	0
Ferrochelatase Deficiency	low	1	0
Fever, Zika	low	1	0
Fibrillary Astrocytoma	medium	2	1
Gastric Cancer	low	1	0
Gastric Cancer, Familial Diffuse	low	1	0
Gastric Neoplasms	low	1	0
Gastrointestinal Stromal Neoplasm	medium	1	1
Gastrointestinal Stromal Neoplasms	medium	1	1
Gastrointestinal Stromal Sarcoma	medium	1	1
Gastrointestinal Stromal Tumor	medium	1	1
Gastrointestinal Stromal Tumors	medium	1	1
Gemistocytic Astrocytoma	medium	2	1
Genotoxicant-Induced Micronuclei	low	2	0
Gestational Diabetes	medium	1	1
Giant Cell Glioblastoma	medium	17	4
Glial Cell Tumors	medium	21	7
Glioblastoma Multiforme	medium	17	4
Glioblastoma with Sarcomatous Component	low	1	0
Glioma	medium	21	7
Glioma, Astrocytic	medium	2	1
Gram-Negative Bacterial Infections	medium	1	1
Granulomatous Slack Skin	medium	1	1
Harding Passey Melanoma	low	3	0
Health Care Associated Infection	medium	1	1
Health Care Associated Infections	medium	1	1
Healthcare Associated Infections	medium	1	1
Hematologic Diseases	medium	1	1
Hematological Diseases	medium	1	1
Heme Synthetase Deficiency	low	1	0
Hemoglobin F Disease	low	1	0
Hepatic Cancer	low	1	0
Hepatic Neoplasms	low	1	0
Hepatocellular Cancer	low	1	0
Hepatocellular Carcinoma	low	1	0
Hepatoma	low	1	0
Hereditary Nonpolyposis Colon Cancer	low	1	0
Hereditary Nonpolyposis Colorectal Cancer	low	1	0
Hereditary Nonpolyposis Colorectal Neoplasms	low	1	0
Hereditary Unconjugated Hyperbilirubinemia	low	1	0
Hip Fractures	medium	1	1
Hospital Infections	medium	1	1
Human Mammary Carcinoma	medium	5	1
Hypercapnia	medium	1	1
Hypersensitivity, Contact	low	1	0
Hypertension	medium	2	2
Hypoxemia	low	1	0
Hypoxia	low	1	0
Immunodeficiency Syndrome, Severe Combined	low	1	0
Immunodeficiency, Severe Combined	low	1	0
Immunologic Deficiency, Severe Combined	low	1	0
Infection, Cross	medium	1	1
Infections, Gram-Negative Bacterial	medium	1	1
Infections, Hospital	medium	1	1
Infections, Nosocomial	medium	1	1
Inflammation	low	2	0
Innate Inflammatory Response	low	2	0
Insulin Resistance	medium	1	1
Insulin Sensitivity	medium	1	1
Intertrochanteric Fractures	medium	1	1
Intracranial Astrocytoma	medium	2	1
Intracranial Neoplasms	medium	30	12
Itching	low	1	0
Juvenile Pilocytic Astrocytoma	medium	2	1
Kahler Disease	medium	1	1
Koch's Disease	low	1	0
Kochs Disease	low	1	0
Left Main Coronary Artery Disease	medium	1	1
Left Main Coronary Disease	medium	1	1
Left Main Disease	medium	1	1
Leiomyosarcoma	medium	1	1
Leiomyosarcoma, Epithelioid	medium	1	1
Leiomyosarcoma, Myxoid	medium	1	1
Leukemia L 1210	low	2	0
Leukemia L1210	low	2	0
Leukemia, Acute Lymphoblastic	low	1	0
Leukemia, Erythroblastic, Acute	low	1	0
Leukemia, Lymphoblastic	low	1	0
Leukemia, Lymphoblastic, Acute	low	1	0
Leukemia, Lymphoblastic, Acute, L1	low	1	0
Leukemia, Lymphoblastic, Acute, L2	low	1	0
Leukemia, Lymphoblastic, Acute, Philadelphia-Positive	low	1	0
Leukemia, Lymphocytic, Acute	low	1	0
Leukemia, Lymphocytic, Acute, L1	low	1	0
Leukemia, Lymphocytic, Acute, L2	low	1	0
Leukemia, Lymphocytic, T Cell	low	1	0
Leukemia, Lymphocytic, T-Cell	low	1	0
Leukemia, Lymphoid, Acute	low	1	0
Leukemia, Myeloid, Acute, M6	low	1	0
Leukemia, T-Cell	low	1	0
Liver Cancer	low	1	0
Liver Cancer, Adult	low	1	0
Liver Cell Carcinoma	low	1	0
Liver Cell Carcinoma, Adult	low	1	0
Liver Neoplasms	low	1	0
Local Neoplasm Recurrence	medium	7	6
Local Neoplasm Recurrences	medium	7	6
Locoregional Neoplasm Recurrence	medium	7	6
Lung Cancer	medium	6	1
Lung Diseases	medium	1	1
Lung Neoplasms	medium	6	1
Lymphoblastic Leukemia	low	1	0
Lymphoblastic Leukemia, Acute	low	1	0
Lymphoblastic Leukemia, Acute, Adult	low	1	0
Lymphoblastic Leukemia, Acute, Childhood	low	1	0
Lymphoblastic Leukemia, Acute, L1	low	1	0
Lymphoblastic Leukemia, Acute, L2	low	1	0
Lymphoblastic Lymphoma	low	1	0
Lymphocytic Leukemia, Acute	low	1	0
Lymphocytic Leukemia, L1	low	1	0
Lymphocytic Leukemia, L2	low	1	0
Lymphocytic Leukemia, T-Cell	low	1	0
Lymphoma, Lymphoblastic	low	1	0
Lymphoma, T Cell, Cutaneous	medium	1	1
Lynch Cancer Family Syndrome I	low	1	0
Lynch Syndrome	low	1	0
Lynch Syndrome I	low	1	0
Malaria, Falciparum	low	1	0
Malignancy	medium	21	7
Malignant Cerebellar Neoplasms	low	1	0
Malignant Epithelial Neoplasms	low	2	0
Malignant Glioma	medium	21	7
Malignant Melanoma	medium	8	1
Malignant Neoplasm of Breast	medium	5	1
Malignant Neoplasms	medium	21	7
Malignant Neoplasms, Brain	medium	30	12
Malignant Primary Brain Neoplasms	medium	30	12
Malignant Primary Brain Tumors	medium	30	12
Malignant Tumor of Breast	medium	5	1
Mammary Cancer	medium	5	1
Mammary Carcinoma, Human	medium	5	1
Mammary Neoplasm, Human	medium	5	1
Mammary Neoplasms, Experimental	low	1	0
Mammary Neoplasms, Human	medium	5	1
Manic Depression	medium	1	1
Manic Disorder	medium	1	1
Manic-Depressive Psychosis	medium	1	1
Marie-Struempell Disease	medium	1	1
Maturity-Onset Diabetes	medium	1	1
Maturity-Onset Diabetes Mellitus	medium	1	1
Mediterranean Anemia	low	1	0
Medullary Neoplasms	medium	1	1
Medullary Tumors	medium	1	1
Medulloblastoma	low	5	0
Medulloblastoma, Adult	low	5	0
Medulloblastoma, Childhood	low	5	0
Medulloblastoma, Desmoplastic	low	5	0
Medullomyoblastoma	low	5	0
Melanocytic Medulloblastoma	low	5	0
Melanoma, B16	low	3	0
Melanoma, Cloudman S91	low	3	0
Melanoma, Experimental	low	3	0
Melanoma, Harding-Passey	low	3	0
Melanomas, Experimental	low	3	0
Menopause	low	1	0
Mesencephalic Neoplasms	medium	1	1
Metastase	medium	1	1
Metastases, Neoplasm	medium	1	1
Metastasis	medium	1	1
Metastasis, Neoplasm	medium	1	1
Microcytemia, beta Type	low	1	0
Micronuclei, Chromosome-Defective	low	2	0
Micronuclei, Genotoxicant-Induced	low	2	0
Micronucleus, Chromosome-Defective	low	2	0
Midbrain Neoplasms	medium	1	1
Midbrain Tumors	medium	1	1
Mixed Glioma	medium	21	7
MODY	medium	1	1
Mouth Cancer	low	2	0
Mouth Neoplasms	low	2	0
Mycobacterium tuberculosis Infection	low	1	0
Myeloid Leukemia, Acute, M6	low	1	0
Myeloma-Multiple	medium	1	1
Myeloma, Multiple	medium	1	1
Myeloma, Plasma-Cell	medium	1	1
Myelomatosis	medium	1	1
Necrosis	low	1	0
Neoplasia	medium	21	7
Neoplasm	medium	21	7
Neoplasm Circulating Cells	medium	1	1
Neoplasm Metastases	medium	1	1
Neoplasm Metastasis	medium	1	1
Neoplasm Recurrence, Local	medium	7	6
Neoplasm Recurrence, Locoregional	medium	7	6
Neoplasm Recurrences, Local	medium	7	6
Neoplasms, Benign	medium	21	7
Neoplasms, Brain	medium	30	12
Neoplasms, Brain Stem	medium	1	1
Neoplasms, Brain, Benign	medium	30	12
Neoplasms, Brain, Malignant	medium	30	12
Neoplasms, Brain, Primary	medium	30	12
Neoplasms, Brainstem	medium	1	1
Neoplasms, Brainstem, Primary	medium	1	1
Neoplasms, Breast	medium	5	1
Neoplasms, Central Nervous System	medium	6	3
Neoplasms, Cerebellar	low	1	0
Neoplasms, Cerebellar, Benign	low	1	0
Neoplasms, Cerebellar, Malignant	low	1	0
Neoplasms, Cerebellar, Primary	low	1	0
Neoplasms, Colonic	low	13	0
Neoplasms, Digestive System	medium	1	1
Neoplasms, Experimental	low	3	0
Neoplasms, Experimental Mammary	low	1	0
Neoplasms, Gastric	low	1	0
Neoplasms, Hepatic	low	1	0
Neoplasms, Intracranial	medium	30	12
Neoplasms, Liver	low	1	0
Neoplasms, Lung	medium	6	1
Neoplasms, Malignant Epithelial	low	2	0
Neoplasms, Medullary	medium	1	1
Neoplasms, Mesencephalic	medium	1	1
Neoplasms, Midbrain	medium	1	1
Neoplasms, Mouth	low	2	0
Neoplasms, Oral	low	2	0
Neoplasms, Ovarian	low	1	0
Neoplasms, Pancreatic	low	4	0
Neoplasms, Pontine	medium	1	1
Neoplasms, Prostate	low	1	0
Neoplasms, Prostatic	low	1	0
Neoplasms, Pulmonary	medium	6	1
Neoplasms, Skin	medium	4	2
Neoplasms, Stomach	low	1	0
Neoplasms, Thyroid	medium	1	1
Neoplastic Cell Transformation	low	3	0
Neoplastic Cells, Circulating	medium	1	1
Neoplastic Transformation, Cell	low	3	0
Neuroblastoma	low	2	0
NIDDM	medium	1	1
Non-Small Cell Lung Cancer	low	1	0
Non-Small Cell Lung Carcinoma	low	1	0
Non-Small-Cell Lung Carcinoma	low	1	0
Noninsulin-Dependent Diabetes Mellitus	medium	1	1
Nonmedullary Thyroid Carcinoma	medium	1	1
Nonsmall Cell Lung Cancer	low	1	0
Nosocomial Infections	medium	1	1
Obesity	medium	1	1
Oligoastrocytoma, Mixed	medium	2	1
Omenn Syndrome	low	1	0
Omenn's Syndrome	low	1	0
Oral Cancer	low	2	0
Oral Neoplasms	low	2	0
Ovarian Cancer	low	1	0
Ovarian Neoplasms	low	1	0
Ovary Cancer	low	1	0
Ovary Neoplasms	low	1	0
Oxygen Deficiency	low	1	0
Palmoplantaris Pustulosis	medium	1	1
Pancreas Cancer	low	4	0
Pancreas Neoplasms	low	4	0
Pancreatic Cancer	low	4	0
Pancreatic Neoplasms	low	4	0
Papillary Carcinoma Of Thyroid	medium	1	1
Papillary Thyroid Carcinoma	medium	1	1
Periodontal Bone Loss	medium	1	1
Periodontal Resorption	medium	1	1
Periodontitis, Adult	medium	1	1
Periodontitis, Chronic	medium	1	1
Pilocytic Astrocytoma	medium	2	1
Plasma Cell Myeloma	medium	1	1
Plasmodium falciparum Malaria	low	1	0
Polycystic Ovarian Syndrome	medium	1	1
Polycystic Ovary Syndrome	medium	1	1
Polycystic Ovary Syndrome 1	medium	1	1
Pontine Neoplasms	medium	1	1
Pontine Tumors	medium	1	1
Precursor Cell Lymphoblastic Leukemia-Lymphoma	low	1	0
Pregnancy	medium	4	3
Primary Brain Neoplasms	medium	30	12
Primary Brain Stem Neoplasms	medium	1	1
Primary Brainstem Neoplasms	medium	1	1
Primary Central Nervous System Neoplasm	medium	6	3
Primary Central Nervous System Neoplasms	medium	6	3
Primary Malignant Brain Neoplasms	medium	30	12
Primary Malignant Brain Tumors	medium	30	12
Primary Neoplasms, Cerebellum	low	1	0
Prostate Cancer	low	1	0
Prostate Neoplasms	low	1	0
Prostatic Cancer	low	1	0
Prostatic Neoplasms	low	1	0
Protoporphyria, Erythropoietic	low	1	0
Pruritis	low	1	0
Pruritus	low	1	0
Psoriasis	medium	1	1
Psychoses, Manic-Depressive	medium	1	1
Psychosis, Manic-Depressive	medium	1	1
Pulmonary Cancer	medium	6	1
Pulmonary Disease	medium	1	1
Pulmonary Diseases	medium	1	1
Pulmonary Neoplasms	medium	6	1
Pustular Psoriasis of Palms and Soles	medium	1	1
Pustulosis of Palms and Soles	medium	1	1
Pustulosis Palmaris et Plantaris	medium	1	1
Recrudescence	medium	1	1
Recurrence	medium	1	1
Recurrence, Local Neoplasm	medium	7	6
Recurrence, Locoregional Neoplasm	medium	7	6
Recurrences, Local Neoplasm	medium	7	6
Relapse	medium	1	1
Reticuloendotheliosis, Familial	low	1	0
Rhabdomyosarcoma	low	2	0
Rheumatoid Spondylitis	medium	1	1
Sarcoma, Cerebellar, Circumscribed Arachnoidal	low	5	0
Sarcoma, Epithelioid	medium	1	1
Sarcoma, Soft Tissue	medium	1	1
Sarcoma, Spindle Cell	medium	1	1
Sarcomatous Glioma	low	1	0
Sclerocystic Ovarian Degeneration	medium	1	1
Sclerocystic Ovaries	medium	1	1
Sclerocystic Ovary Syndrome	medium	1	1
Sensitivity and Specificity	medium	4	2
Sensitivity, Contact	low	1	0
Severe Combined Immune Deficiency	low	1	0
Severe Combined Immunodeficiency	low	1	0
Severe Combined Immunodeficiency Syndrome	low	1	0
Severe Combined Immunologic Deficiency	low	1	0
Skin Cancer	medium	4	2
Skin Neoplasms	medium	4	2
Spondylarthritis Ankylopoietica	medium	1	1
Spondylitis Ankylopoietica	medium	1	1
Spondylitis, Ankylosing	medium	1	1
Spondyloarthritis Ankylopoietica	medium	1	1
Squamous Cell Carcinoma	low	1	0
Stein-Leventhal Syndrome	medium	1	1
Stomach Cancer	low	1	0
Stomach Neoplasms	low	1	0
Subependymal Giant Cell Astrocytoma	medium	2	1
Subtrochanteric Fractures	medium	1	1
T Lymphocytic Leukemia	low	1	0
T-Cell Leukemia	low	1	0
T-Cell Lymphoma, Cutaneous	medium	1	1
T-Lymphocytic Leukemia	low	1	0
Tachycardia, Supraventricular	medium	1	1
Thalassemia Intermedia	low	1	0
Thalassemia Major	low	1	0
Thalassemia Major (beta-Thalassemia Major)	low	1	0
Thalassemia Minor	low	1	0
Thalassemia Minor (beta-Thalassemia Minor)	low	1	0
Thalassemia, beta Type	low	1	0
Thrombocytopenia	medium	1	1
Thrombopenia	medium	1	1
Thyroid Adenoma	medium	1	1
Thyroid Cancer	medium	1	1
Thyroid Cancer, Papillary	medium	1	1
Thyroid Carcinoma	medium	1	1
Thyroid Carcinoma, Papillary	medium	1	1
Thyroid Neoplasms	medium	1	1
Transformation, Neoplastic Cell	low	3	0
Triple Negative Breast Cancer	low	1	0
Triple Negative Breast Neoplasms	low	1	0
Triple-Negative Breast Cancer	low	1	0
Triple-Negative Breast Neoplasm	low	1	0
Trochanteric Fractures	medium	1	1
Tuberculosis	low	1	0
Tumor Cells, Embolic	medium	1	1
Tumorigenic Transformation	low	3	0
Tumors	medium	21	7
Tumors, Breast	medium	5	1
Tumors, Central Nervous System	medium	6	3
Type 2 Diabetes	medium	1	1
Type 2 Diabetes Mellitus	medium	1	1
Urinary Tract Infections	medium	1	1
Zika Fever	low	1	0
Zika Virus Disease	low	1	0
Zika Virus Infection	low	1	0
ZikV Infection	low	1	0

Article	Year
Phase I trial of temozolomide plus O6-benzylguanine 5-day regimen with recurrent malignant glioma. Neuro-oncology, Volume: 11, Issue: 5	2009
Phase II trial of temozolomide plus o6-benzylguanine in adults with recurrent, temozolomide-resistant malignant glioma. Journal of clinical oncology : official journal of the American Society of Clinical Oncology, Mar-10, Volume: 27, Issue: 8	2009
Phase I trial of single-dose temozolomide and continuous administration of o6-benzylguanine in children with brain tumors: a pediatric brain tumor consortium report. Clinical cancer research : an official journal of the American Association for Cancer Research, Nov-15, Volume: 13, Issue: 22 Pt 1	2007
Stable differentiation and clonality of murine long-term hematopoiesis after extended reduced-intensity selection for MGMT P140K transgene expression. Blood, Sep-15, Volume: 110, Issue: 6	2007
Exploiting the role of O6-methylguanine-DNA-methyltransferase (MGMT) in cancer therapy. Current opinion in pharmacology, Volume: 6, Issue: 4	2006
Nuclear-localizing O6-benzylguanine-resistant GFP-MGMT fusion protein as a novel in vivo selection marker. Experimental hematology, Volume: 32, Issue: 8	2004
O(6)-(4-bromothenyl)guanine improves the therapeutic index of temozolomide against A375M melanoma xenografts. International journal of cancer, Jan-15, Volume: 85, Issue: 2	2000
O6-benzylguanine: a clinical trial establishing the biochemical modulatory dose in tumor tissue for alkyltransferase-directed DNA repair. Cancer research, May-15, Volume: 59, Issue: 10	1999
Effect of single and multiple administration of an O6-benzylguanine/temozolomide combination: an evaluation in a human melanoma xenograft model. Cancer chemotherapy and pharmacology, Volume: 40, Issue: 3	1997
Conformational change in human DNA repair enzyme O6-methylguanine-DNA methyltransferase upon alkylation of its active site by SN1 (indirect-acting) and SN2 (direct-acting) alkylating agents: breaking a "salt-link". Biochemistry, Sep-24, Volume: 35, Issue: 38	1996
Potentiation of temozolomide and BCNU cytotoxicity by O(6)-benzylguanine: a comparative study in vitro. British journal of cancer, Volume: 73, Issue: 4	1996
Activity of temozolomide in the treatment of central nervous system tumor xenografts. Cancer research, Jul-01, Volume: 55, Issue: 13	1995
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

o(6)-benzylguanine

Description

Cross-References

Synonyms (92)

Protein Targets (46)

Potency Measurements

Inhibition Measurements

Other Measurements

Biological Processes (118)

Molecular Functions (29)

Ceullar Components (44)

Bioassays (146)

Research

Studies (354)

Study Types

Clinical Trials (35)

Trial Overview

Trial Outcomes

Overall Response Rate

Duration of Response

Gene Transfer Efficiency After Chemotherapy

Gene Transfer Efficiency

Number of Participants Dose-limiting Toxicity (DLT)

Number of Participants That Survived

Number of Participants With Chemoprotection

Number of Participants With Chemoselection

Number of Participants With Retrovirus or Leukemia

Response Rate

Time to Progression

Toxicity as Assessed by the Common Terminology Criteria in Adverse Events (CTCAE v 3)

Number of Patients With Grade 3 or 4 Adverse Events at Least Possibly Related to the Combination of O6-benzylguanine and Temozolomide

Percentage of Participants With an Objective Response (Complete Response or Partial Response)

Related Drugs (1,111)

Related Conditions (594)

Research Highlights

Safety/Toxicity (38)

Pharmacokinetics (9)

Bioavailability (4)

Dosage (12)

Interactions (5)