Compounds > l 163191
Page last updated: 2024-09-26

l 163191

Cross-References

ID SourceID
PubMed CID178024
CHEMBL ID542653
CHEMBL ID13817
SCHEMBL ID739398
MeSH IDM0249778

Synonyms (45)

Synonym
l 163191
1n-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1h-indole-3,4''-(hexahydropyridine)]-1-yl]-2-oxo-(1r)-ethyl]-2-amino-2-methylpropanamide(mk-0677)
1n-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1h-indole-3,4''-(hexahydropyridine)]-1-yl]-2-oxo-(1r)-ethyl]-2-amino-2-methylpropanamide
1-{[(2r)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-dihydrospiro[indole-3,4''-piperidine]-1''-yl}-1-oxopropan-2-yl]carbamoyl}-1-methylethan-1-aminium
1n-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1h-indole-3,4''-(hexahydropyridine)]-1-yl]-2-oxo-(1r)-ethyl]-2-amino-2-methylpropanamide [3a(mk-0677)]
bdbm50049478
CHEMBL542653 ,
ibutamoren
CHEMBL13817 ,
l-163,191
2-amino-2-methyl-n-[(2r)-1-(1-methylsulfonylspiro[2h-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
gj0egn38ul ,
propanamide, 2-amino-n-(2-(1,2-dihydro-1-(methylsulfonyl)spiro(3h-indole-3,4'-piperidin)-1'-yl)-2-oxo-1-((phenylmethoxy)methyl)ethyl)-2-methyl-, (r)-
159634-47-6
unii-gj0egn38ul
ibutamoren [inn]
bdbm50403624
propanamide, 2-amino-n-((1r)-2-(1,2-dihydro-1-(methylsulfonyl)spiro(3h-indole-3,4'-piperidin)-1'-yl)-2-oxo-1-((phenylmethoxy)methyl)ethyl)-2-methyl-
NCGC00263115-01
ibutamoren [nflis-drug]
ibutamoren [who-dd]
2-amino-n-(3-(benzyloxy)-1-(1-methanesulfonyl-1,2-dihydrospiro(indole-3,4'-piperidin)-1'-yl)-1-oxopropan-2-yl)-2-methylpropanamide
2-amino-n-((r)-2-(benzyloxy)-1-((1-(methylsulfonyl)spiro(indoline-3,4'-piperidin)-1'-yl)carbonyl)ethyl)-2-methylpropionamide
gtpl5867
mk677
SCHEMBL739398
(r)-2-amino-n-(3-(benzyloxy)-1-(1-(methylsulfonyl)spiro[indoline-3,4'-piperidin]-1'-yl)-1-oxopropan-2-yl)-2-methylpropanamide
AC-25509
DTXSID90166700 ,
AKOS025401779
ibutamoren (mk-677)
NCGC00263115-05
159633-92-8
Q5984942
159634-47-6 (free base)
mk-677;crescendo;mk 0677;mk-0677;mk0677
NCGC00263115-10
mk-677, (hcl salt)
192511-65-2
1-(methanesulfonyl)-1'-(2-methyl-l-alanyl-o-benzyl-d-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine]
1KD ,
ibutamoreno
ibutamorenum
dtxcid0089191
ibutamoren (nflis-drug)

Protein Targets (10)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Fumarate hydrataseHomo sapiens (human)Potency29.56590.00308.794948.0869AID1347053
PPM1D proteinHomo sapiens (human)Potency32.99930.00529.466132.9993AID1347411
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency8.48660.01237.983543.2770AID1645841
EWS/FLI fusion proteinHomo sapiens (human)Potency24.44460.001310.157742.8575AID1259252; AID1259253; AID1259255; AID1259256
cytochrome P450 2D6Homo sapiens (human)Potency23.91850.00108.379861.1304AID1645840
polyproteinZika virusPotency29.56590.00308.794948.0869AID1347053
tyrosine-protein kinase YesHomo sapiens (human)Potency12.24080.00005.018279.2586AID686947
Interferon betaHomo sapiens (human)Potency32.99930.00339.158239.8107AID1347411
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Growth hormone secretagogue receptor type 1Homo sapiens (human)IC50 (µMol)0.04230.00040.58926.0000AID1505552; AID73176; AID75332; AID75339; AID75341; AID75344; AID75345
Growth hormone secretagogue receptor type 1Homo sapiens (human)Ki0.04040.00020.03360.0906AID1802374; AID75338
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Growth hormone secretagogue receptor type 1Rattus norvegicus (Norway rat)EC50 (µMol)0.00130.00130.01540.0600AID175853
Growth hormone secretagogue receptor type 1Homo sapiens (human)EC50 (µMol)0.00080.00020.00870.0660AID1505553; AID306735; AID723498; AID87768
Growth hormone secretagogue receptor type 1Homo sapiens (human)Kd0.00010.00010.00010.0001AID75335
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Growth hormone secretagogue receptor type 1Homo sapiens (human)Activity0.00030.00030.00030.0003AID1859423
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (77)

Processvia Protein(s)Taxonomy
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell activation involved in immune responseInterferon betaHomo sapiens (human)
cell surface receptor signaling pathwayInterferon betaHomo sapiens (human)
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to virusInterferon betaHomo sapiens (human)
positive regulation of autophagyInterferon betaHomo sapiens (human)
cytokine-mediated signaling pathwayInterferon betaHomo sapiens (human)
natural killer cell activationInterferon betaHomo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT proteinInterferon betaHomo sapiens (human)
cellular response to interferon-betaInterferon betaHomo sapiens (human)
B cell proliferationInterferon betaHomo sapiens (human)
negative regulation of viral genome replicationInterferon betaHomo sapiens (human)
innate immune responseInterferon betaHomo sapiens (human)
positive regulation of innate immune responseInterferon betaHomo sapiens (human)
regulation of MHC class I biosynthetic processInterferon betaHomo sapiens (human)
negative regulation of T cell differentiationInterferon betaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIInterferon betaHomo sapiens (human)
defense response to virusInterferon betaHomo sapiens (human)
type I interferon-mediated signaling pathwayInterferon betaHomo sapiens (human)
neuron cellular homeostasisInterferon betaHomo sapiens (human)
cellular response to exogenous dsRNAInterferon betaHomo sapiens (human)
cellular response to virusInterferon betaHomo sapiens (human)
negative regulation of Lewy body formationInterferon betaHomo sapiens (human)
negative regulation of T-helper 2 cell cytokine productionInterferon betaHomo sapiens (human)
positive regulation of apoptotic signaling pathwayInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell differentiationInterferon betaHomo sapiens (human)
natural killer cell activation involved in immune responseInterferon betaHomo sapiens (human)
adaptive immune responseInterferon betaHomo sapiens (human)
T cell activation involved in immune responseInterferon betaHomo sapiens (human)
humoral immune responseInterferon betaHomo sapiens (human)
G protein-coupled receptor signaling pathwayGrowth hormone secretagogue receptor type 1Homo sapiens (human)
spermatogenesisGrowth hormone secretagogue receptor type 1Homo sapiens (human)
learning or memoryGrowth hormone secretagogue receptor type 1Homo sapiens (human)
actin polymerization or depolymerizationGrowth hormone secretagogue receptor type 1Homo sapiens (human)
adult feeding behaviorGrowth hormone secretagogue receptor type 1Homo sapiens (human)
response to hormoneGrowth hormone secretagogue receptor type 1Homo sapiens (human)
hormone-mediated signaling pathwayGrowth hormone secretagogue receptor type 1Homo sapiens (human)
negative regulation of norepinephrine secretionGrowth hormone secretagogue receptor type 1Homo sapiens (human)
growth hormone secretionGrowth hormone secretagogue receptor type 1Homo sapiens (human)
response to foodGrowth hormone secretagogue receptor type 1Homo sapiens (human)
negative regulation of appetiteGrowth hormone secretagogue receptor type 1Homo sapiens (human)
positive regulation of appetiteGrowth hormone secretagogue receptor type 1Homo sapiens (human)
response to follicle-stimulating hormoneGrowth hormone secretagogue receptor type 1Homo sapiens (human)
response to estradiolGrowth hormone secretagogue receptor type 1Homo sapiens (human)
negative regulation of interleukin-1 beta productionGrowth hormone secretagogue receptor type 1Homo sapiens (human)
negative regulation of interleukin-6 productionGrowth hormone secretagogue receptor type 1Homo sapiens (human)
negative regulation of tumor necrosis factor productionGrowth hormone secretagogue receptor type 1Homo sapiens (human)
cellular response to insulin stimulusGrowth hormone secretagogue receptor type 1Homo sapiens (human)
ghrelin secretionGrowth hormone secretagogue receptor type 1Homo sapiens (human)
positive regulation of multicellular organism growthGrowth hormone secretagogue receptor type 1Homo sapiens (human)
regulation of hindgut contractionGrowth hormone secretagogue receptor type 1Homo sapiens (human)
positive regulation of insulin-like growth factor receptor signaling pathwayGrowth hormone secretagogue receptor type 1Homo sapiens (human)
positive regulation of fatty acid metabolic processGrowth hormone secretagogue receptor type 1Homo sapiens (human)
negative regulation of insulin secretionGrowth hormone secretagogue receptor type 1Homo sapiens (human)
decidualizationGrowth hormone secretagogue receptor type 1Homo sapiens (human)
insulin-like growth factor receptor signaling pathwayGrowth hormone secretagogue receptor type 1Homo sapiens (human)
negative regulation of inflammatory responseGrowth hormone secretagogue receptor type 1Homo sapiens (human)
regulation of synapse assemblyGrowth hormone secretagogue receptor type 1Homo sapiens (human)
regulation of transmission of nerve impulseGrowth hormone secretagogue receptor type 1Homo sapiens (human)
regulation of growth hormone secretionGrowth hormone secretagogue receptor type 1Homo sapiens (human)
response to growth hormoneGrowth hormone secretagogue receptor type 1Homo sapiens (human)
cellular response to lipopolysaccharideGrowth hormone secretagogue receptor type 1Homo sapiens (human)
response to dexamethasoneGrowth hormone secretagogue receptor type 1Homo sapiens (human)
negative regulation of locomotion involved in locomotory behaviorGrowth hormone secretagogue receptor type 1Homo sapiens (human)
cellular response to thyroid hormone stimulusGrowth hormone secretagogue receptor type 1Homo sapiens (human)
regulation of neurotransmitter receptor localization to postsynaptic specialization membraneGrowth hormone secretagogue receptor type 1Homo sapiens (human)
postsynaptic modulation of chemical synaptic transmissionGrowth hormone secretagogue receptor type 1Homo sapiens (human)
regulation of postsynapse organizationGrowth hormone secretagogue receptor type 1Homo sapiens (human)
positive regulation of small intestinal transitGrowth hormone secretagogue receptor type 1Homo sapiens (human)
response to L-glutamateGrowth hormone secretagogue receptor type 1Homo sapiens (human)
positive regulation of sprouting angiogenesisGrowth hormone secretagogue receptor type 1Homo sapiens (human)
positive regulation of eating behaviorGrowth hormone secretagogue receptor type 1Homo sapiens (human)
positive regulation of small intestine smooth muscle contractionGrowth hormone secretagogue receptor type 1Homo sapiens (human)
regulation of gastric motilityGrowth hormone secretagogue receptor type 1Homo sapiens (human)
positive regulation of vascular endothelial cell proliferationGrowth hormone secretagogue receptor type 1Homo sapiens (human)
cellular response to insulin-like growth factor stimulusGrowth hormone secretagogue receptor type 1Homo sapiens (human)
negative regulation of macrophage apoptotic processGrowth hormone secretagogue receptor type 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (9)

Processvia Protein(s)Taxonomy
cytokine activityInterferon betaHomo sapiens (human)
cytokine receptor bindingInterferon betaHomo sapiens (human)
type I interferon receptor bindingInterferon betaHomo sapiens (human)
protein bindingInterferon betaHomo sapiens (human)
chloramphenicol O-acetyltransferase activityInterferon betaHomo sapiens (human)
growth hormone secretagogue receptor activityGrowth hormone secretagogue receptor type 1Homo sapiens (human)
G protein-coupled receptor activityGrowth hormone secretagogue receptor type 1Homo sapiens (human)
growth hormone-releasing hormone receptor activityGrowth hormone secretagogue receptor type 1Homo sapiens (human)
peptide hormone bindingGrowth hormone secretagogue receptor type 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (10)

Processvia Protein(s)Taxonomy
plasma membraneGrowth hormone secretagogue receptor type 1Rattus norvegicus (Norway rat)
extracellular spaceInterferon betaHomo sapiens (human)
extracellular regionInterferon betaHomo sapiens (human)
plasma membraneGrowth hormone secretagogue receptor type 1Homo sapiens (human)
cell surfaceGrowth hormone secretagogue receptor type 1Homo sapiens (human)
neuron projectionGrowth hormone secretagogue receptor type 1Homo sapiens (human)
membrane raftGrowth hormone secretagogue receptor type 1Homo sapiens (human)
synaptic membraneGrowth hormone secretagogue receptor type 1Homo sapiens (human)
Schaffer collateral - CA1 synapseGrowth hormone secretagogue receptor type 1Homo sapiens (human)
postsynapseGrowth hormone secretagogue receptor type 1Homo sapiens (human)
glutamatergic synapseGrowth hormone secretagogue receptor type 1Homo sapiens (human)
plasma membraneGrowth hormone secretagogue receptor type 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (101)

Assay IDTitleYearJournalArticle
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings 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.
AID1508591NCATS Rat Liver Microsome Stability Profiling2020Scientific reports, 11-26, Volume: 10, Issue:1
Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings 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.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings 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.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID686947qHTS for small molecule inhibitors of Yes1 kinase: Primary Screen2013Bioorganic & medicinal chemistry letters, Aug-01, Volume: 23, Issue:15
Identification of potent Yes1 kinase inhibitors using a library screening approach.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508612NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling2017Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3
Highly predictive and interpretable models for PAMPA permeability.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID59484Compound is evaluated for elevated GH in beagles with peroral dose1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Peptidomimetic growth hormone secretagogues. Design considerations and therapeutic potential.
AID75339Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed as IC502001Bioorganic & medicinal chemistry letters, Jul-23, Volume: 11, Issue:14
Spiro(indoline-3,4'-piperidine) growth hormone secretagogues as ghrelin mimetics.
AID73176Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor2000Bioorganic & medicinal chemistry letters, Jan-03, Volume: 10, Issue:1
Modeling directed design and biological evaluation of quinazolinones as non-peptidic growth hormone secretagogues.
AID1079941Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source]
AID1079937Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID175658Effective Concentration for GH secretion from rat pituitary cell was determined1996Journal of medicinal chemistry, Apr-26, Volume: 39, Issue:9
Development of a high specific activity sulfur-35-labeled sulfonamide radioligand that allowed the identification of a new growth hormone secretagogue receptor.
AID306735Agonist activity at human GHS-R12007Bioorganic & medicinal chemistry, Apr-15, Volume: 15, Issue:8
Modeling of human ghrelin receptor (hGHS-R1a) in its close state and validation by molecular docking.
AID9511Concentration in dogs after oral administration at dose of 1 mg/kg after 180 min.2003Journal of medicinal chemistry, Mar-27, Volume: 46, Issue:7
New active series of growth hormone secretagogues.
AID1079947Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID175837In Vitro evaluation for growth hormone release from the pituitary incubates1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Peptidomimetic growth hormone secretagogues. Design considerations and therapeutic potential.
AID1505555Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secretion after 90 mins by HTRF analysis relative to GHRP-62018Journal of medicinal chemistry, 07-26, Volume: 61, Issue:14
Identification and Pharmacological Profile of an Indane Based Series of Ghrelin Receptor Full Agonists.
AID60863Stimulating GH secretion in dogs after oral administration at dose of 1 mg/kg2003Journal of medicinal chemistry, Mar-27, Volume: 46, Issue:7
New active series of growth hormone secretagogues.
AID1079938Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source]
AID195923Concentration required for GH release from isolated pituitary cells of rat tested in vitro2001Bioorganic & medicinal chemistry letters, Jul-23, Volume: 11, Issue:14
Highly potent growth hormone secretagogues: hybrids of NN703 and ipamorelin.
AID1079935Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source]
AID1079933Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is
AID159423Effective dose required for release of GH from pigs in vivo2001Bioorganic & medicinal chemistry letters, Jul-23, Volume: 11, Issue:14
Highly potent growth hormone secretagogues: hybrids of NN703 and ipamorelin.
AID87768Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a2001Bioorganic & medicinal chemistry letters, Jul-23, Volume: 11, Issue:14
Spiro(indoline-3,4'-piperidine) growth hormone secretagogues as ghrelin mimetics.
AID9320Oral bioavailability measured in dogs1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Peptidomimetic growth hormone secretagogues. Design considerations and therapeutic potential.
AID1505552Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay2018Journal of medicinal chemistry, 07-26, Volume: 61, Issue:14
Identification and Pharmacological Profile of an Indane Based Series of Ghrelin Receptor Full Agonists.
AID195930Efficacy was determined as percent of GHRP-6 in rat pituitary cell assay tested in vitro2001Bioorganic & medicinal chemistry letters, Jul-23, Volume: 11, Issue:14
Highly potent growth hormone secretagogues: hybrids of NN703 and ipamorelin.
AID197419Compound was evaluated for binding affinity, which binds with high affinity to membranes isolated from rat hypothalamus1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Peptidomimetic growth hormone secretagogues. Design considerations and therapeutic potential.
AID723498Agonist activity at GHSR (unknown origin)2013Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3
Systematic exploration of dual-acting modulators from a combined medicinal chemistry and biology perspective.
AID10086Compound was evaluated for pronounced GH response at 100 mg (n=6)(area under concentration curve was determined from 0-8 hr following morning and evening dosing with 25 mg of the compound1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Peptidomimetic growth hormone secretagogues. Design considerations and therapeutic potential.
AID75335Compound was evaluated for binding affinity using [35S]MK-0677 (800-1100 Ci/mmol), as radioligand having specific high activity1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Peptidomimetic growth hormone secretagogues. Design considerations and therapeutic potential.
AID1079936Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source]
AID75345Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand2003Journal of medicinal chemistry, Mar-27, Volume: 46, Issue:7
New active series of growth hormone secretagogues.
AID1505553Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secretion after 90 mins by HTRF analysis2018Journal of medicinal chemistry, 07-26, Volume: 61, Issue:14
Identification and Pharmacological Profile of an Indane Based Series of Ghrelin Receptor Full Agonists.
AID75344Ability to displace [125I]ghrelin from cloned human Growth hormone secretagogue receptor type I (GSH1a) receptor expressed in COS-7 cells2002Journal of medicinal chemistry, Dec-19, Volume: 45, Issue:26
2002 Alfred Burger Award Address in Medicinal Chemistry. Natural products and design: interrelated approaches in drug discovery.
AID290735Stimulation of growth hormone in rat pituitary cell2007Bioorganic & medicinal chemistry letters, Jul-01, Volume: 17, Issue:13
Highly potent growth hormone secretagogues.
AID75341Inhibition against human growth hormone secretagogue (GHS) receptor2004Journal of medicinal chemistry, Feb-12, Volume: 47, Issue:4
Recognition of privileged structures by G-protein coupled receptors.
AID1079949Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID160987Limited capacity to porcine pituitary membranes was evaluated1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Peptidomimetic growth hormone secretagogues. Design considerations and therapeutic potential.
AID175855In vitro growth hormone releasing activity was measured in rat pituitary cells2001Journal of medicinal chemistry, Dec-20, Volume: 44, Issue:26
Oxindole derivatives as orally active potent growth hormone secretagogues.
AID10314Half-life period measured in dogs1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Peptidomimetic growth hormone secretagogues. Design considerations and therapeutic potential.
AID59483Compound is evaluated for elevated GH in beagles with intravenous dose1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Peptidomimetic growth hormone secretagogues. Design considerations and therapeutic potential.
AID187245Ratio of GH release stimulated by 300 ug/kg of compound to that of GH release stimulated by 300 ug/kg of hexarelin in infant rat (sc injection)2003Journal of medicinal chemistry, Mar-27, Volume: 46, Issue:7
New active series of growth hormone secretagogues.
AID1079943Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID764128Agonist activity at GHS-R1a in rat pituitary cells2013Bioorganic & medicinal chemistry, Sep-01, Volume: 21, Issue:17
Antiproliferative activity on human prostate carcinoma cell lines of new peptidomimetics containing the spiroazepinoindolinone scaffold.
AID75338Binding Affinity against Growth hormone secretagogue receptor of swine using [35S]MK-0677 as radioligand1996Journal of medicinal chemistry, Apr-26, Volume: 39, Issue:9
Development of a high specific activity sulfur-35-labeled sulfonamide radioligand that allowed the identification of a new growth hormone secretagogue receptor.
AID1079940Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID17271Dissociation constant was evaluated which is similar to Ki (inhibitory constant)1996Journal of medicinal chemistry, Apr-26, Volume: 39, Issue:9
Development of a high specific activity sulfur-35-labeled sulfonamide radioligand that allowed the identification of a new growth hormone secretagogue receptor.
AID159530Release of growth hormone at single iv dose of 50 nmol/kg in pigs2001Bioorganic & medicinal chemistry letters, Jul-23, Volume: 11, Issue:14
Highly potent growth hormone secretagogues: hybrids of NN703 and ipamorelin.
AID1079948Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID1079931Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source]
AID1859421Stimulation of growth hormone secretion in rat pituitary cells2022European journal of medicinal chemistry, May-05, Volume: 235An insight into the multifunctional role of ghrelin and structure activity relationship studies of ghrelin receptor ligands with clinical trials.
AID180671The effective concentration against rat pituitary cell GH release assay2000Bioorganic & medicinal chemistry letters, Jan-03, Volume: 10, Issue:1
Modeling directed design and biological evaluation of quinazolinones as non-peptidic growth hormone secretagogues.
AID1079944Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID195924Effective concentration for ability to release growth hormone from rat pituitary cells2001Journal of medicinal chemistry, Nov-22, Volume: 44, Issue:24
Rational design, discovery, and synthesis of a novel series of potent growth hormone secretagogues.
AID1079934Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID1079939Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID1859423Binding affinity to GHS-R1a (unknown origin)2022European journal of medicinal chemistry, May-05, Volume: 235An insight into the multifunctional role of ghrelin and structure activity relationship studies of ghrelin receptor ligands with clinical trials.
AID1079945Animal toxicity known. [column 'TOXIC' in source]
AID1079946Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID175853In vitro growth hormone release was determined in rat pituitary cell assay1998Bioorganic & medicinal chemistry letters, Jan-06, Volume: 8, Issue:1
Potent 3-spiropiperidine growth hormone secretagogues.
AID195901Effective concentration for their ability to release growth hormone in the rat pituitary cell assay2003Bioorganic & medicinal chemistry letters, May-19, Volume: 13, Issue:10
Substituted bridged phenyl piperidines: orally active growth hormone secretagogues.
AID1079932Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID109125Inhibition against human melanocortin-4 (MC4) receptor; No binding detected2004Journal of medicinal chemistry, Feb-12, Volume: 47, Issue:4
Recognition of privileged structures by G-protein coupled receptors.
AID75332Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand2003Journal of medicinal chemistry, Mar-27, Volume: 46, Issue:7
New active series of growth hormone secretagogues.
AID197417The concentration of binding sites was evaluated1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Peptidomimetic growth hormone secretagogues. Design considerations and therapeutic potential.
AID1079942Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID1802374GHS Ligand Binding Assay from Article 10.1074/jbc.M113.453423: \\Heterodimerization with Its splice variant blocks the ghrelin receptor 1a in a non-signaling conformation: a study with a purified heterodimer assembled into lipid discs.\\2013The Journal of biological chemistry, Aug-23, Volume: 288, Issue:34
Heterodimerization with Its splice variant blocks the ghrelin receptor 1a in a non-signaling conformation: a study with a purified heterodimer assembled into lipid discs.
AID1645848NCATS Kinetic Aqueous Solubility Profiling2019Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14
Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
AID1645871NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling in pH 5 buffer2022Bioorganic & medicinal chemistry, 02-15, Volume: 56Using in vitro ADME data for lead compound selection: An emphasis on PAMPA pH 5 permeability and oral bioavailability.
AID1347411qHTS 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) Libary2020ACS 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.
AID1346009Human ghrelin receptor (Ghrelin receptor)1999European journal of endocrinology, Aug, Volume: 141, Issue:2
Pharmacological characterisation of a new oral GH secretagogue, NN703.
AID1346009Human ghrelin receptor (Ghrelin receptor)2005Molecular endocrinology (Baltimore, Md.), Sep, Volume: 19, Issue:9
Nonpeptide and peptide growth hormone secretagogues act both as ghrelin receptor agonist and as positive or negative allosteric modulators of ghrelin signaling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (34)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's4 (11.76)18.2507
2000's12 (35.29)29.6817
2010's9 (26.47)24.3611
2020's9 (26.47)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews3 (8.57%)6.00%
Case Studies1 (2.86%)4.05%
Observational0 (0.00%)0.25%
Other31 (88.57%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
l 692429[no description available]medium80
sk&f 110679[no description available]medium40
l 163255[no description available]medium10
hexarelin[no description available]medium30
l 692585[no description available]medium50peptide
ghrp-1[no description available]medium10
l 162752[no description available]medium20
cp 424391[no description available]medium30
ipamorelin[no description available]medium10
sm 130686[no description available]medium10
benzylsuccinic acid[no description available]medium10dicarboxylic acidbacterial xenobiotic metabolite
succinylproline[no description available]medium10N-acyl-amino acid
devazepide[no description available]medium101,4-benzodiazepinone;
indolecarboxamide		antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug
l 365260[no description available]medium10benzodiazepine
lisinopril[no description available]medium10dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
enalapril[no description available]medium10dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
enalaprilat anhydrous[no description available]medium10dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
l 054522[no description available]medium10
somatostatin[no description available]medium10heterodetic cyclic peptide;
peptide hormone
macimorelin[no description available]medium10
losartan[no description available]medium10biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
tabimorelin[no description available]medium10
pk 11195[no description available]medium40aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent
pd 173074[no description available]medium10aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
abt 702[no description available]medium10bipyridines
bicalutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
verapamil[no description available]medium10aromatic ether;
nitrile;
polyether;
tertiary amino compound
celecoxib[no description available]medium10organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
chelerythrine[no description available]medium10benzophenanthridine alkaloid;
organic cation		antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
furosemide[no description available]medium10chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gossypol[no description available]medium10
fasudil[no description available]medium10isoquinolines;
N-sulfonyldiazepane		antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
indirubin-3'-monoxime[no description available]medium10
leflunomide[no description available]medium10(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
letrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
lg 100268[no description available]medium10
metformin[no description available]medium10guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
entinostat[no description available]medium10benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
olprinone[no description available]medium10bipyridines
omeprazole[no description available]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
pioglitazone[no description available]medium10aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one[no description available]medium30indoles
riluzole[no description available]medium10benzothiazoles
sb 206553[no description available]medium10pyrroloindole
sb 220025[no description available]medium10aminopyrimidine;
imidazoles;
organofluorine compound;
piperidines		angiogenesis inhibitor;
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sb 202190[no description available]medium10imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sk&f 86002[no description available]medium10imidazoles
imatinib[no description available]medium10aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
vorinostat[no description available]medium40dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
sulfasalazine[no description available]medium10
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine[no description available]medium10stilbenoid
troglitazone[no description available]medium10chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
azacitidine[no description available]medium10N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
podophyllotoxin[no description available]medium50furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
formestane[no description available]medium1017-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
hydroxychloroquine sulfate[no description available]medium10
amiloride hydrochloride, anhydrous[no description available]medium10hydrochloridediuretic;
sodium channel blocker
acadesine[no description available]medium101-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue		antineoplastic agent;
platelet aggregation inhibitor
cladribine[no description available]medium10organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
zidovudine[no description available]medium10azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
lonidamine[no description available]medium10dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
simvastatin[no description available]medium10delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
itraconazole[no description available]medium10aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles		EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor
pravadoline[no description available]medium10
zileuton[no description available]medium101-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
niguldipine[no description available]medium10diarylmethane
topotecan[no description available]medium10pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
eliprodil[no description available]medium10monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound
gemcitabine[no description available]medium10organofluorine 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
verapamil hydrochloride[no description available]medium10
efavirenz[no description available]medium10acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor
bendamustine[no description available]medium10benzimidazoles
caroverine[no description available]medium10quinoxaline derivative
cgs 9343b[no description available]medium10benzimidazoles
telmisartan[no description available]medium10benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
2-methoxyestradiol[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
alacepril[no description available]medium10dipeptide;
thioacetate ester		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ubenimex[no description available]medium10
vinpocetine[no description available]medium10
deguelin[no description available]medium10aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite
triptolide[no description available]medium10diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound		antispermatogenic agent;
plant metabolite
sr 48692[no description available]medium10N-acyl-amino acid
elacridar[no description available]medium10
gefitinib[no description available]medium10aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
bay x 1005[no description available]medium10
gyki 53655[no description available]medium10
ml-3000[no description available]medium10
cd 437[no description available]medium10adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols		apoptosis inducer;
retinoic acid receptor gamma agonist
docetaxel anhydrous[no description available]medium10secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent
perifosine[no description available]medium10ammonium betaine;
phospholipid		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
mk 767[no description available]medium10
bazedoxifene acetate[no description available]medium10
canertinib[no description available]medium10monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
birb 796[no description available]medium10aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator
tipifarnib[no description available]medium40imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
cyc 202[no description available]medium402,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
sb 203580[no description available]medium10imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent
enzastaurin[no description available]medium10indoles;
maleimides
erlotinib[no description available]medium10aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
piboserod[no description available]medium10
bd 1047[no description available]medium10primary amine
lapatinib[no description available]medium50furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
sorafenib[no description available]medium10(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
lenalidomide[no description available]medium10aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide[no description available]medium10aminoquinoline
sr 142806[no description available]medium10
elesclomol[no description available]medium10carbohydrazide;
thiocarbonyl compound		antineoplastic agent;
apoptosis inducer
nsc 663284[no description available]medium10quinolone
bortezomib[no description available]medium10amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
bardoxolone methyl[no description available]medium20cyclohexenones
nsc 23766[no description available]medium10aminopyrimidine;
aminoquinoline;
primary amino compound;
secondary amino compound;
tertiary amino compound		antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist
gw 3965[no description available]medium10diarylmethane
y 27632[no description available]medium10aromatic amide
6-bromoindirubin-3'-oxime[no description available]medium10
purvalanol b[no description available]medium10purvalanolprotein kinase inhibitor
y-700[no description available]medium10
repsox[no description available]medium10pyrazolopyridine
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide[no description available]medium10tropane alkaloid
s 1033[no description available]medium40(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
mercaptopurine[no description available]medium10aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
rg108[no description available]medium10indolyl carboxylic acid
stf 083010[no description available]medium10
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide[no description available]medium40naphthalenecarboxamide
cct018159[no description available]medium10benzodioxine;
pyrazoles;
resorcinols		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
secinh3[no description available]medium10triazoles
jk184[no description available]medium10
tamoxifen citrate[no description available]medium10citrate saltangiogenesis inhibitor;
anticoronaviral agent
hc-067047[no description available]medium10
bi-78d3[no description available]medium40aryl sulfide
gsk 3787[no description available]medium10
methyl-thiohydantoin-tryptophan[no description available]medium10organonitrogen compound;
organooxygen compound
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester[no description available]medium10monocarboxylic acid
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide[no description available]medium10sulfonamide
LSM-1318[no description available]medium10oxa-steroid
rwj 67657[no description available]medium10
6-methyl-2-(phenylethynyl)pyridine[no description available]medium10acetylenic compound;
methylpyridines		anxiolytic drug;
metabotropic glutamate receptor antagonist
bms 387032[no description available]medium101,3-oxazoles;
1,3-thiazoles;
organic sulfide;
piperidinecarboxamide;
secondary carboxamide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
tandutinib[no description available]medium10aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
vx-745[no description available]medium50aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
corlanor[no description available]medium10hydrochloridecardiotonic drug
dasatinib[no description available]medium401,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
zd 6474[no description available]medium50aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor
compound 968[no description available]medium10benzophenanthridineEC 3.5.1.2 (glutaminase) inhibitor
sb-224289[no description available]medium101,2,4-oxadiazole;
azaspiro compound;
benzamides;
organic heterotetracyclic compound		serotonergic antagonist
gw 7647[no description available]medium10aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist
l 663536[no description available]medium10aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine[no description available]medium10imidazoles
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine[no description available]medium10aromatic amine;
tertiary amino compound
2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester[no description available]medium10isoquinolines
sch 79797[no description available]medium10quinazolines
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide[no description available]medium10benzamides;
benzodioxoles;
imidazoles;
pyridines		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one[no description available]medium10monobactam
imd 0354[no description available]medium10benzamides
ex 527[no description available]medium10carbazoles;
monocarboxylic acid amide;
organochlorine compound
quercetin[no description available]medium107-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
genistein[no description available]medium407-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
fenretinide[no description available]medium10monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant
ter 199[no description available]medium10
arachidonylcyclopropylamide[no description available]medium10
ly 320135[no description available]medium10benzofurans
pd 166285[no description available]medium10
kn 62[no description available]medium40piperazines
su 6656[no description available]medium10
semaxinib[no description available]medium10olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
su 11248[no description available]medium30monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist
palbociclib[no description available]medium40aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
jnj-7706621[no description available]medium40sulfonamide
cisplatin[no description available]medium10diamminedichloroplatinumantineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent
vx680[no description available]medium10N-arylpiperazine
d 4476[no description available]medium10imidazoles
cyc 116[no description available]medium10
bay 19-8004[no description available]medium10
axitinib[no description available]medium10aryl sulfide;
benzamides;
indazoles;
pyridines		antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
pai 039[no description available]medium10indole-3-acetic acids
gw2974[no description available]medium10pyridopyrimidine
ispinesib[no description available]medium10benzamides
temsirolimus[no description available]medium10macrolide lactam
pd 184352[no description available]medium10aminobenzoic acid
bibx 1382bs[no description available]medium10substituted aniline
hdac-42[no description available]medium10amidobenzoic acid
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone[no description available]medium10benzamides;
N-acylpiperidine
iniparib[no description available]medium10carbonyl compound;
organohalogen compound
mk 0752[no description available]medium10
gw 501516[no description available]medium401,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist
av 412[no description available]medium10
ag-041r[no description available]medium10
telatinib[no description available]medium10
cp 547632[no description available]medium10
spc-839[no description available]medium40
lenvatinib[no description available]medium10aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist
andarine[no description available]medium10acetamides;
anilide
gw843682x[no description available]medium10(trifluoromethyl)benzenes
pd 0325901[no description available]medium10difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound		antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
midostaurin[no description available]medium40benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
ag 14361[no description available]medium10benzimidazoles
sb 265610[no description available]medium10
fr 148083[no description available]medium10aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor
mocetinostat[no description available]medium10aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent
osi 930[no description available]medium40aromatic amide
ki 20227[no description available]medium10
scio-469[no description available]medium10aromatic amide;
aromatic ketone;
chloroindole;
dicarboxylic acid diamide;
indolecarboxamide;
monofluorobenzenes;
N-acylpiperazine;
N-alkylpiperazine		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
ssr 69071[no description available]medium10pyridopyrimidine
pi103[no description available]medium40aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
sb 210313[no description available]medium10
gw 4064[no description available]medium10stilbenoid
sa 4503[no description available]medium10
ic 87114[no description available]medium106-aminopurines;
biaryl;
quinazolines		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
zibotentan[no description available]medium10phenylpyridine
tivozanib[no description available]medium40aromatic ether
hki 272[no description available]medium20nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
tofacitinib[no description available]medium10N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound		antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
bibr 1532[no description available]medium10
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide[no description available]medium40
rucaparib[no description available]medium10azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
cediranib[no description available]medium10aromatic ether
gw0742[no description available]medium40monocarboxylic acid
ps1145[no description available]medium10beta-carbolines
bay 41-8543[no description available]medium10pyrazolopyridine
chir 99021[no description available]medium10aminopyridine;
aminopyrimidine;
cyanopyridine;
diamine;
dichlorobenzene;
imidazoles;
secondary amino compound		EC 2.7.11.26 (tau-protein kinase) inhibitor
sb 525334[no description available]medium40quinoxaline derivative
way-362450[no description available]medium10indoles
masitinib[no description available]medium101,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines		antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
bx795[no description available]medium50ureas
pazopanib[no description available]medium10aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
sepantronium[no description available]medium10organic cation
azd 6244[no description available]medium50benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea[no description available]medium40
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide[no description available]medium101,3,4-oxadiazoles;
benzamides;
biphenyls;
nitrile		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
ar c155858[no description available]medium10
aee 788[no description available]medium106-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug
saracatinib[no description available]medium10aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent
sd-208[no description available]medium40
vx 702[no description available]medium10phenylpyridine
volasertib[no description available]medium10
PB28[no description available]medium50aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
azd 7762[no description available]medium10aromatic amide;
thiophenes
krp-203[no description available]medium40
mk 0354[no description available]medium10
regorafenib[no description available]medium40(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester[no description available]medium40pyrroloquinoline
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one[no description available]medium10methoxybenzenes;
substituted aniline
brivanib[no description available]medium10aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
icg 001[no description available]medium10peptide
mp470[no description available]medium10N-arylpiperazine
nu 7441[no description available]medium10dibenzothiophenes
at 7519[no description available]medium10dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
bi 2536[no description available]medium40
danusertib[no description available]medium10piperazines
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide[no description available]medium10benzamides
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide[no description available]medium10benzamides
abt 869[no description available]medium10aromatic amine;
indazoles;
phenylureas		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
dorsomorphin[no description available]medium10aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines		bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
ac 261066[no description available]medium10
carfilzomib[no description available]medium40epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor
gw9508[no description available]medium10aromatic amine
jnj 26854165[no description available]medium10
pf 573228[no description available]medium10quinolines
gw 2580[no description available]medium10
idelalisib[no description available]medium40aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
crizotinib[no description available]medium103-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amineantineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile[no description available]medium10benzimidazoles
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide[no description available]medium10aromatic amide;
heteroarene
osi 906[no description available]medium10cyclobutanes;
quinolines
ly2109761[no description available]medium10
chir-265[no description available]medium10aromatic ether
motesanib[no description available]medium40pyridinecarboxamide
az-628[no description available]medium10benzamides
trametinib[no description available]medium10acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
pf-562,271[no description available]medium40indoles
veliparib[no description available]medium10benzimidazolesEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
ku-0060648[no description available]medium40dibenzothiophenes
dactolisib[no description available]medium10imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
palomid 529[no description available]medium10
tosedostat[no description available]medium10carboxylic ester;
hydroxamic acid;
secondary carboxamide
mdv 3100[no description available]medium10(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent
ku 60019[no description available]medium10
gsk 461364[no description available]medium10(trifluoromethyl)benzenes
n-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide[no description available]medium10
nvp-tae684[no description available]medium10piperidines
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide[no description available]medium10
gsk 269962a[no description available]medium40
a-83-01[no description available]medium10
3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one[no description available]medium10indoles
vx-770[no description available]medium10aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone		CFTR potentiator;
orphan drug
buparlisib[no description available]medium10aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
azd 1480[no description available]medium10
fedratinib[no description available]medium10sulfonamide
gsk690693[no description available]medium101,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
cnf 2024[no description available]medium102-aminopurines;
aromatic ether;
organochlorine compound;
pyridines		antineoplastic agent;
Hsp90 inhibitor
ku 0063794[no description available]medium10benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
mTOR inhibitor
azd 7545[no description available]medium10benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide		EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent
nutlin-3b[no description available]medium10Nutlin;
piperazinone		anticoronaviral agent
pf 04217903[no description available]medium40quinolines
gdc 0941[no description available]medium10indazoles;
morpholines;
piperazines;
sulfonamide;
thienopyrimidine		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
sm 164[no description available]medium10benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
radiosensitizing agent
ph 797804[no description available]medium50aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone		anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
pha 408[no description available]medium10
gsk 1016790a[no description available]medium101-benzothiophenes;
aromatic primary alcohol;
dichlorobenzene;
N-acylpiperazine;
sulfonamide;
tertiary carboxamide		TRPV4 agonist
olaparib[no description available]medium10cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
srt1720[no description available]medium50
plx 4720[no description available]medium10aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor
cx 4945[no description available]medium10
cudc 101[no description available]medium10
mln 8237[no description available]medium10benzazepine
lde225[no description available]medium10aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
gdc 0449[no description available]medium10benzamides;
monochlorobenzenes;
pyridines;
sulfone		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent
sgx 523[no description available]medium10aryl sulfide;
biaryl;
pyrazoles;
quinolines;
triazolopyridazine		c-Met tyrosine kinase inhibitor;
nephrotoxic agent
bms 777607[no description available]medium10aromatic amide
sgi 1776[no description available]medium10imidazoles
pci 32765[no description available]medium10acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
ponatinib[no description available]medium40(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine		antineoplastic agent;
tyrosine kinase inhibitor
amg 900[no description available]medium10
mk-1775[no description available]medium10piperazines
bag956[no description available]medium10
quizartinib[no description available]medium40benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester[no description available]medium10carbamate ester
tak 733[no description available]medium10
mk 2206[no description available]medium10organic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
navitoclax[no description available]medium40aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
sns 314[no description available]medium10ureas
jzl 184[no description available]medium10benzodioxoles
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide[no description available]medium10aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound		anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
dcc-2036[no description available]medium40organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines		tyrosine kinase inhibitor
cabozantinib[no description available]medium40aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide[no description available]medium10benzamides
incb-018424[no description available]medium10nitrile;
pyrazoles;
pyrrolopyrimidine		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
bix 01294[no description available]medium10piperidines
pf 3845[no description available]medium10piperidines
gsk 2126458[no description available]medium10aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent
ixazomib[no description available]medium10benzamides;
boronic acids;
dichlorobenzene;
glycine derivative		antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor
ldn 193189[no description available]medium10pyrimidines
plx4032[no description available]medium10aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanol[no description available]medium10biphenyls
gsk 1363089[no description available]medium10aromatic ether
kin-193[no description available]medium10pyridopyrimidine
bay 869766[no description available]medium10
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester[no description available]medium10carbamate ester
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone[no description available]medium40organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline[no description available]medium10benzenes;
sulfonamide
cp 466722[no description available]medium10quinazolines
CAY10626[no description available]medium10ureas
thiopental sodium[no description available]medium10organochlorine compound;
piperazines;
pyrimidines		antineoplastic agent;
tyrosine kinase inhibitor
pha 793887[no description available]medium40piperidinecarboxamide
nvp-bsk805[no description available]medium10
xmd 8-92[no description available]medium10pyrimidobenzodiazepineprotein kinase inhibitor
jq1 compound[no description available]medium40carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer
jnj38877605[no description available]medium10quinolines
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide[no description available]medium10benzothiazoles
torin 1[no description available]medium50N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor
ly2940680[no description available]medium10
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea[no description available]medium40ureas
ro 4929097[no description available]medium10dibenzoazepine;
dicarboxylic acid diamide;
lactam;
organofluorine compound		EC 3.4.23.46 (memapsin 2) inhibitor
gsk4112[no description available]medium10
torin 2[no description available]medium10aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline		antineoplastic agent;
mTOR inhibitor
pf-4708671[no description available]medium10
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide[no description available]medium30benzamides;
N-acylpiperidine
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide[no description available]medium10aromatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes
belinostat[no description available]medium10olefinic compound
ethyl 1-benzyl-3-hydroxy-2(5h)-oxopyrrole-4-carboxylate[no description available]medium10carboxylic acid;
pyrroline
a 769662[no description available]medium10biphenyls
LimKi 3[no description available]medium101,3-thiazoles;
dichlorobenzene;
organofluorine compound;
pyrazoles;
secondary carboxamide		LIM kinase inhibitor
1-[4-amino-7-[3-(2-methoxyethylamino)propyl]-5-(4-methylphenyl)-6-pyrrolo[2,3-d]pyrimidinyl]-2-fluoroethanone[no description available]medium10pyrroles
2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole[no description available]medium10dipyrrins
N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide[no description available]medium10tryptamines
3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylene)piperazine-2,5-dione[no description available]medium10pyrazines
gsk837149a[no description available]medium10
N-[4-(3-chloro-4-fluoroanilino)-7-[[(3S)-3-oxolanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide[no description available]medium10quinazolines
N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide[no description available]medium10quinazolines
wnt-c59[no description available]medium10
5-[1-(2-hydroxyethyl)-3-pyridin-4-yl-4-pyrazolyl]-2,3-dihydroinden-1-one oxime[no description available]medium10indanes
chir 258[no description available]medium10
osi 027[no description available]medium10
hli 373[no description available]medium10
pemetrexed[no description available]medium10N-acyl-L-glutamic acid;
pyrrolopyrimidine		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
sildenafil citrate[no description available]medium10citrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
aprepitant[no description available]medium10(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
xav939[no description available]medium10(trifluoromethyl)benzenes;
thiopyranopyrimidine		tankyrase inhibitor
2-carboxyarabinitol 1-phosphate[no description available]medium10
nintedanib[no description available]medium40
ver 52296[no description available]medium40aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor
sb-590885[no description available]medium10aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound
pf-477736[no description available]medium10
fenobam[no description available]medium10ureas
b 844-39[no description available]medium10diarylmethane
jtv519[no description available]medium40
alprazolam[no description available]medium30organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
dan 2163[no description available]medium40aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone		environmental contaminant;
second generation antipsychotic;
xenobiotic
amlexanox[no description available]medium30monocarboxylic acid;
pyridochromene		anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug
astemizole[no description available]medium30benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
benzbromarone[no description available]medium301-benzofurans;
aromatic ketone		uricosuric drug
bisindolylmaleimide i[no description available]medium40
bufexamac[no description available]medium30aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cadralazine[no description available]medium40organic molecular entity
chlorcyclizine[no description available]medium30diarylmethane
ci 994[no description available]medium30acetamides;
benzamides;
substituted aniline		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
cyclosporine[no description available]medium20
fenbendazole[no description available]medium30aryl sulfide;
benzimidazoles;
carbamate ester		antinematodal drug
berotek[no description available]medium10resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
go 6976[no description available]medium30indolocarbazole;
organic heterohexacyclic compound		EC 2.7.11.13 (protein kinase C) inhibitor
haloperidol[no description available]medium40aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
homochlorocyclizine[no description available]medium40diarylmethane
hydroxyzine[no description available]medium30hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
ifenprodil[no description available]medium40piperidines
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone[no description available]medium30naphthalenes
ketamine[no description available]medium30cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketoprofen[no description available]medium30benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
mebendazole[no description available]medium40aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
mephenesin[no description available]medium30aromatic ether;
glycerol ether
niclosamide[no description available]medium30benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
oxibendazole[no description available]medium30benzimidazoles;
carbamate ester
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine[no description available]medium40
perphenazine[no description available]medium30N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
pimobendan[no description available]medium40benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
ag 1879[no description available]medium30aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine		beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
ro 31-8220[no description available]medium30imidothiocarbamic ester;
indoles;
maleimides		EC 2.7.11.13 (protein kinase C) inhibitor
ropinirole[no description available]medium30indolones;
tertiary amine		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine[no description available]medium20stilbenoid
trifluperidol[no description available]medium10aromatic ketone
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole[no description available]medium30aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
zotepine[no description available]medium40dibenzothiepine;
tertiary amino compound		alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug
colchicine[no description available]medium40alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
benziodarone[no description available]medium30aromatic ketone
trehalose[no description available]medium30trehaloseEscherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
triclocarban[no description available]medium30dichlorobenzene;
monochlorobenzenes;
phenylureas		antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic
4-tert-octylphenol[no description available]medium30alkylbenzene
ethamivan[no description available]medium30methoxybenzenes;
phenols
methysergide[no description available]medium30ergoline alkaloid
emetine[no description available]medium40isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
etonitazene[no description available]medium40
clothiapine[no description available]medium40dibenzothiazepine
benperidol[no description available]medium40aromatic ketone
7-hydroxychlorpromazine[no description available]medium30phenothiazines
camptothecin[no description available]medium30delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
thenalidine[no description available]medium40dialkylarylamine;
tertiary amino compound
bromocriptine[no description available]medium30indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
dexchlorpheniramine[no description available]medium40chlorphenamine
dv 1006[no description available]medium30
climbazole[no description available]medium30aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes
triadimenol[no description available]medium30aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite
amonafide[no description available]medium30isoquinolines
flupirtine[no description available]medium40aminopyridine
chaetochromin[no description available]medium30
enoximone[no description available]medium30aromatic ketone
aripiprazole[no description available]medium30aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
indocate[no description available]medium40
N(4)-acetylsulfathiazole[no description available]medium301,3-thiazoles;
acetamides;
sulfonamide		marine xenobiotic metabolite
cyclizine hydrochloride[no description available]medium20
2,3-trimethylene-4-quinazolone[no description available]medium30quinazolines
1,3-dimethyluric acid[no description available]medium30oxopurinemetabolite
danofloxacin[no description available]medium30quinolines
nitrefazole[no description available]medium30imidazoles
methotrimeprazine[no description available]medium40phenothiazines;
tertiary amine		anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
honokiol[no description available]medium40biphenyls
9-methoxyellipticine[no description available]medium30
3-aminophenoxazone[no description available]medium30phenoxazine
3-deazaneplanocin[no description available]medium30
tryptanthrine[no description available]medium30alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound
2-chlorodiazepam[no description available]medium30
Polycartine B[no description available]medium30phenazines
aminoquinuride dihydrochloride[no description available]medium30
thioproperazine mesylate[no description available]medium40phenothiazines
n(6)-(delta(2)-isopentenyl)adenine[no description available]medium306-isopentenylaminopurinecytokinin
4-methyl-N-(phenylmethyl)benzenesulfonamide[no description available]medium30sulfonamide
sr141716[no description available]medium40amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide[no description available]medium20aromatic ketone
fingolimod[no description available]medium30aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist
tesmilifene[no description available]medium40diarylmethane
sr 27897[no description available]medium30indolyl carboxylic acid
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine[no description available]medium30leucine derivative
norketamine[no description available]medium40organochlorine compound
methotrexate[no description available]medium30dicarboxylic 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
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide[no description available]medium30
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide[no description available]medium30phenylindole
l 741626[no description available]medium40piperidines
dx 8951[no description available]medium30pyranoindolizinoquinoline
avasimibe[no description available]medium30monoterpenoid
dizocilpine[no description available]medium40secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
s-benzylcysteine[no description available]medium30S-aryl-L-cysteine zwitterion
chelidonine[no description available]medium30alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid
roxindole[no description available]medium30indolesalpha-adrenergic antagonist;
serotonergic drug
conidendrin[no description available]medium30
Porfiromycine[no description available]medium30mitomycin
nsc 95397[no description available]medium301,4-naphthoquinones
4-methyl-2-quinazolinamine[no description available]medium30
2-glycineamide-5-chlorophenyl-2-pyrryl ketone[no description available]medium30
2,5-bis(5-hydroxymethyl-2-thienyl)furan[no description available]medium30thiophenes
ritonavir[no description available]medium401,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
Destruxin B[no description available]medium40cyclodepsipeptide
tosylphenylalanyl chloromethyl ketone[no description available]medium30alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor
2'-c-methylcytidine[no description available]medium30
jp-1302[no description available]medium40
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one[no description available]medium40benzodiazepine
tenatoprazole[no description available]medium40imidazopyridine
5-[(2-fluoroanilino)methyl]-8-quinolinol[no description available]medium30hydroxyquinoline
benidipine hydrochloride[no description available]medium20
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one[no description available]medium30quinazolines
chlorprothixene[no description available]medium40chlorprothixene
jrf 12[no description available]medium40
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester[no description available]medium30methoxybenzenes;
substituted aniline
3-hydroxypyridine, sodium salt[no description available]medium30
5-[(2-bromoanilino)methyl]-8-quinolinol[no description available]medium30hydroxyquinoline
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide[no description available]medium30
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline[no description available]medium30aromatic amine
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide[no description available]medium30piperidinecarboxamide
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol[no description available]medium30hydroxyquinoline
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide[no description available]medium30acetamides;
anilide
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide[no description available]medium30aromatic amide;
thiophenes
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone[no description available]medium30dimethoxybenzene
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide[no description available]medium30aromatic amide
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide[no description available]medium30aromatic ether
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione[no description available]medium30maleimides
Src Inhibitor-1[no description available]medium40aromatic ether;
polyether;
quinazolines;
secondary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one[no description available]medium30dimethoxybenzene
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide[no description available]medium30quinolines
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine[no description available]medium30pyrroles
kartogenin[no description available]medium30
nih-12848[no description available]medium30
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide[no description available]medium30quinazolines
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone[no description available]medium30benzimidazoles
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile[no description available]medium30imidazopyridine
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one[no description available]medium30aromatic ketone
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester[no description available]medium30oxopurine
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester[no description available]medium30organonitrogen compound;
organosulfur compound
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide[no description available]medium30quinolines
LSM-1924[no description available]medium30organic heterotricyclic compound;
organooxygen compound
ferrostatin-1[no description available]medium30ethyl ester;
primary arylamine;
substituted aniline		antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine[no description available]medium30C-nitro compound
ncgc00099374[no description available]medium30
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide[no description available]medium30benzamides
luteolin[no description available]medium303'-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
kaempferol[no description available]medium307-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
mycophenolate mofetil[no description available]medium30carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
bruceantin[no description available]medium30triterpenoid
chrysin[no description available]medium307-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
daidzein[no description available]medium307-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
neticonazole[no description available]medium30aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide		antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine[no description available]medium40endocannabinoid;
N-acylethanolamine 22:6
n-oleoylethanolamine[no description available]medium30endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1		EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist
alpha-zearalenol[no description available]medium40macrolide
su 9516[no description available]medium30
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine[no description available]medium30triazolopyrimidines
sb 277011[no description available]medium40
sb 223412[no description available]medium30
sr 59230a[no description available]medium30tetralins
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide[no description available]medium30pyrimidines
MeJA[no description available]medium30Jasmonate derivatives
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-[no description available]medium30
pd 161570[no description available]medium30
virginiamycin factor s1[no description available]medium30cyclodepsipeptide;
macrolide antibiotic		antibacterial drug;
bacterial metabolite
xib 4035[no description available]medium40
belotecan[no description available]medium30pyranoindolizinoquinoline
norgestimate[no description available]medium30ketoxime;
steroid ester;
terminal acetylenic compound		contraceptive drug;
progestin;
synthetic oral contraceptive
b 43[no description available]medium30aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine[no description available]medium40
methiazole[no description available]medium40benzimidazoles;
carbamate ester
sb 218795[no description available]medium30quinolines
bvt.948[no description available]medium30
a 38503[no description available]medium40
parthenolide[no description available]medium20sesquiterpene lactonedrug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
krn 633[no description available]medium30
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid[no description available]medium30organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
dolastatin 10[no description available]medium401,3-thiazoles;
tetrapeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent
nu 7026[no description available]medium30organic heterotricyclic compound;
organooxygen compound
ticagrelor[no description available]medium30aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines		P2Y12 receptor antagonist;
platelet aggregation inhibitor
nnc 26-9100[no description available]medium30aminopyridine
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine[no description available]medium40
tae226[no description available]medium40morpholines
u 18666a[no description available]medium30hydrochlorideantiviral agent;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
Hedgehog signaling pathway inhibitor;
nicotinic antagonist;
sterol biosynthesis inhibitor
bay 61-3606[no description available]medium30pyrimidines
crenolanib[no description available]medium30aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
cj 033466[no description available]medium30
cc 401[no description available]medium30pyrazoles;
ring assembly
arterolane[no description available]medium30
cariprazine[no description available]medium40
at 7867[no description available]medium40monochlorobenzenes;
piperidines;
pyrazoles		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ptc 124[no description available]medium40oxadiazole;
ring assembly
azd 1152[no description available]medium40anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug
gliocladin c[no description available]medium40
sb 706504[no description available]medium30
bgt226[no description available]medium40aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
n-desmethyldanofloxacin[no description available]medium30
rabeprazole sodium[no description available]medium10organic sodium salt
CDN1163[no description available]medium30aromatic ether;
quinolines;
secondary carboxamide		SERCA activator
pha 848125[no description available]medium30
nvp-bhg712[no description available]medium30benzamides
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one[no description available]medium30aromatic ketone
purfalcamine[no description available]medium30
bms 754807[no description available]medium30pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
PP121[no description available]medium30aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor
gsk 650394[no description available]medium40phenylpyridine
TAK-580[no description available]medium301,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one[no description available]medium30chromones
pf 3758309[no description available]medium30organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine[no description available]medium40aryl sulfide;
thienopyrimidine
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine[no description available]medium30aryl sulfide;
thienopyrimidine
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine[no description available]medium30aryl sulfide;
thienopyrimidine
baricitinib[no description available]medium30azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine[no description available]medium30quinazolines
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide[no description available]medium30hydroxyquinoline
p505-15[no description available]medium30
mrt67307[no description available]medium40aromatic amine
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide[no description available]medium30piperazines
ribociclib[no description available]medium30
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone[no description available]medium30aromatic ketone;
thienopyrimidine
ml228 probe[no description available]medium301,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound		hypoxia-inducible factor pathway activator
pf-03882845[no description available]medium30
pf-04620110[no description available]medium30
gsk525762a[no description available]medium30benzodiazepine
abt-199[no description available]medium30aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide[no description available]medium30(trifluoromethyl)benzenes
ncgc00242364[no description available]medium30quinazolines
gsk1210151a[no description available]medium30imidazoquinoline
hs-173[no description available]medium40
sr1664[no description available]medium30indolecarboxamide
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide[no description available]medium30
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide[no description available]medium20aminoquinoline
cudc-907[no description available]medium30
methacycline monohydrochloride[no description available]medium20
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid[no description available]medium30quinolines
agi-5198[no description available]medium30
cep-32496[no description available]medium40
epz004777[no description available]medium30N-glycosyl compound
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid[no description available]medium30organonitrogen heterocyclic compound
entecavir[no description available]medium30benzamides;
N-acylpiperidine
gkt137831[no description available]medium30
vx-509[no description available]medium30
vx-970[no description available]medium30sulfonamide
gs-9973[no description available]medium40
amg 925[no description available]medium30
gne-618[no description available]medium40
g007-lk[no description available]medium30
volitinib[no description available]medium30
ML355[no description available]medium40benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor
acp-196[no description available]medium30aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk343[no description available]medium30aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
agi-6780[no description available]medium30
khs101[no description available]medium40
cb-839[no description available]medium30
gsk-j4[no description available]medium30organonitrogen heterocyclic compound
pf-06424439[no description available]medium30
etp-46464[no description available]medium30
onc201[no description available]medium30
kai407[no description available]medium30
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine[no description available]medium30
enasidenib[no description available]medium301,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
oicr-9429[no description available]medium30
lly-507[no description available]medium30
at 9283[no description available]medium30
hypoxanthine[no description available]medium30nucleobase analogue;
oxopurine;
purine nucleobase		fundamental metabolite
clozapine[no description available]medium30benzodiazepine;
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
1-hydroxyphenazine[no description available]medium30phenazines
ro 24-7429[no description available]medium30benzodiazepine
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide[no description available]medium30catechols;
hydrazide;
hydrazone;
naphthols		EC 3.6.5.5 (dynamin GTPase) inhibitor
rvx 208[no description available]medium30
bmn 673[no description available]medium40
carvedilol[no description available]medium20carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
cetirizine[no description available]medium20ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
cyclizine[no description available]medium10N-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
aloxistatin[no description available]medium10epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor
zpck[no description available]medium20
indatraline[no description available]medium20indanes
salvinorin a[no description available]medium20organic heterotricyclic compound;
organooxygen compound		metabolite;
oneirogen
niguldipine hydrochloride[no description available]medium20
trichostatin a[no description available]medium10antibiotic antifungal agent;
hydroxamic acid;
trichostatin		bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
sitafloxacin[no description available]medium10fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
benidipine[no description available]medium20
toremifene[no description available]medium10aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide[no description available]medium20indoles
rabeprazole(1-)[no description available]medium20organic nitrogen anion
cyclosporine[no description available]medium10
fenoterol[no description available]medium20hydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
gw-5074[no description available]medium10
fk 866[no description available]medium10benzamides;
N-acylpiperidine
valnemulin[no description available]medium20
degrasyn[no description available]medium20
azd 1152-hqpa[no description available]medium20anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol[no description available]medium20benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
gsk 2334470[no description available]medium20indazoles
birinapant[no description available]medium10dipeptide
methacycline[no description available]medium10
ConditionIndicatedRelationship StrengthStudiesTrials
Body Weight0low10
Cancer of Prostate0low10
Cancer of the Prostate0low10
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Disease Models, Animal0low10
Fever, Zika0low10
Neoplasms, Prostate0low10
Neoplasms, Prostatic0low10
Prostate Cancer0low10
Prostate Neoplasms0low10
Prostatic Cancer0low10
Prostatic Neoplasms0low10
Weight Gain0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Bioavailability (6)

ArticleYear
Using in vitro ADME data for lead compound selection: An emphasis on PAMPA pH 5 permeability and oral bioavailability.
Bioorganic & medicinal chemistry, 02-15, Volume: 56		2022
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, Volume: 96, Issue: 5		2019
Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue: 3		2017
Oxindole derivatives as orally active potent growth hormone secretagogues.
Journal of medicinal chemistry, Dec-20, Volume: 44, Issue: 26		2001
Highly potent growth hormone secretagogues: hybrids of NN703 and ipamorelin.
Bioorganic & medicinal chemistry letters, Jul-23, Volume: 11, Issue: 14		2001
Pharmacological characterisation of a new oral GH secretagogue, NN703.
European journal of endocrinology, Volume: 141, Issue: 2		1999
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (1)

ArticleYear
Pharmacological characterisation of a new oral GH secretagogue, NN703.
European journal of endocrinology, Volume: 141, Issue: 2		1999
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]