Compounds > az 960
Page last updated: 2024-08-03 12:10:44

az 960

Description

Cross-References

ID SourceID
PubMed CID25099184
CHEMBL ID1774055
SCHEMBL ID14840365
MeSH IDM0528578

Synonyms (46)

Synonym
CHEMBL1774055 ,
bdbm50343725
(s)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1h-pyrazol-3-ylamino)nicotinonitrile
BCP9000348
az 960 ,
AZ-960 ,
az960
5-fluoro-2-{[(1s)-1-(4-fluorophenyl)ethyl]amino}-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyridine-3-carbonitrile
905586-69-8
BCPP000371
NCGC00346581-01
unii-m63is9ptjf
3-pyridinecarbonitrile, 5-fluoro-2-(((1s)-1-(4-fluorophenyl)ethyl)amino)-6-((5-methyl-1h-pyrazol-3-yl)amino)-
m63is9ptjf ,
(r)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1h-pyrazol-3-ylamino)nicotinonitrile
S2214
SUNXHXDJOIXABJ-NSHDSACASA-N ,
(s)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1h-pyrazol-3-ylamino) nicotinonitrile
smr004702855
MLS006011063
J-502242
SCHEMBL14840365
gtpl8476
5-fluoro-2-[[(1s)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyridine-3-carbonitrile
AC-32981
(s)-5-fluoro-2-((1-(4-fluorophenyl)ethyl)amino)-6-((5-methyl-1h-pyrazol-3-yl)amino)nicotinonitrile
HY-10411
CS-6209
DTXSID60238201
AKOS027420925
5-fluoro-2-[[(1s)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1h-pyrazol-3-yl)amino]-3-pyridinecarbonitrile
AS-74896
NCGC00346581-04
SW219623-1
Z2037280525
Q27074679
BCP27683
az 960;az960
CCG-268082
C77068
EX-A1802
NCGC00346581-06
(s)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1h-pyrazol-3-ylamino)nicotinonitrile;az 960
A19389
NCGC00346581-02
az960, 5-fluoro-2-[[(1s)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1h-pyrazol-3-yl)amino]-3-pyridinecarbonitrile, 5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1h-pyrazol-3-ylamino)nicotinonitrile

Protein Targets (13)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
PPM1D proteinHomo sapiens (human)Potency2.0821AID1347411
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency2.6837AID1645841
EWS/FLI fusion proteinHomo sapiens (human)Potency4.3097AID1259252; AID1259253; AID1259255; AID1259256
GVesicular stomatitis virusPotency1.8999AID1645842
cytochrome P450 2D6Homo sapiens (human)Potency26.8370AID1645840
Interferon betaHomo sapiens (human)Potency2.0366AID1347411; AID1645842
HLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)Potency1.8999AID1645842
Inositol hexakisphosphate kinase 1Homo sapiens (human)Potency1.8999AID1645842
cytochrome P450 2C9, partialHomo sapiens (human)Potency1.8999AID1645842

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Tyrosine-protein kinase JAK2Homo sapiens (human)GI500.0240AID596564
Tyrosine-protein kinase JAK2Homo sapiens (human)IC500.0030AID596562
Tyrosine-protein kinase JAK2Homo sapiens (human)Ki0.0004AID1629279
Tyrosine-protein kinase JAK3Homo sapiens (human)GI500.3500AID596565
Tyrosine-protein kinase JAK3Homo sapiens (human)IC500.0090AID596563
LIM domain kinase 1Homo sapiens (human)IC505.1133AID1857470; AID1857472; AID1857474; AID1857476
LIM domain kinase 2Homo sapiens (human)IC507.1392AID1857471; AID1857473; AID1857475; AID1857476

Bioassays (65)

Assay IDTitleYearJournalArticle
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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
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
ISSN: 1949-2553		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: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
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
ISSN: 1949-2553		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
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560		Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
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
ISSN: 1949-2553		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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		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: 173ISSN: 1872-9096A 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
ISSN: 1949-2553		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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		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
ISSN: 1949-2553		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
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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
ISSN: 1949-2553		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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		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: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		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
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
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
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
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
ISSN: 1554-8937		High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347412qHTS assay to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Counter screen cell viability and HiBit confirmation2020ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937		High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID596368Half life in Han Wistar rat at 10 mg/kg, po and 3 mg/kg, iv2011Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10
ISSN: 1464-3405		In vitro and in vivo evaluation of 6-aminopyrazolyl-pyridine-3-carbonitriles as JAK2 kinase inhibitors.
AID1629282Selectivity ratio of IC50 for mouse vSMC to IC50 for bloodstream form of Trypanosoma brucei 2212016Bioorganic & medicinal chemistry, 10-01, Volume: 24, Issue:19
ISSN: 1464-3391		Discovery and antiparasitic activity of AZ960 as a Trypanosoma brucei ERK8 inhibitor.
AID596354Aqueous solubility of compound2011Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10
ISSN: 1464-3405		In vitro and in vivo evaluation of 6-aminopyrazolyl-pyridine-3-carbonitriles as JAK2 kinase inhibitors.
AID596367Clearance in Han Wistar rat at 10 mg/kg, po and 3 mg/kg, iv2011Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10
ISSN: 1464-3405		In vitro and in vivo evaluation of 6-aminopyrazolyl-pyridine-3-carbonitriles as JAK2 kinase inhibitors.
AID1629285Cytotoxicity against rat INS-1 cells assessed as cell growth inhibition2016Bioorganic & medicinal chemistry, 10-01, Volume: 24, Issue:19
ISSN: 1464-3391		Discovery and antiparasitic activity of AZ960 as a Trypanosoma brucei ERK8 inhibitor.
AID1751878Inhibition of recombinant full-length human GRK6 using casein as substrate at 1 uM measured after 80 mins in presence of [gamma33P]ATP by radiometric scintillation counting method relative to control2021Journal of medicinal chemistry, 08-12, Volume: 64, Issue:15
ISSN: 1520-4804		Design, Synthesis, and Characterization of 4-Aminoquinazolines as Potent Inhibitors of the G Protein-Coupled Receptor Kinase 6 (GRK6) for the Treatment of Multiple Myeloma.
AID1857471Inhibition of recombinant LIMK2 (347 to 659 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 180 mins by RapidFire Mass Spectrometry kinase assay2022Journal of medicinal chemistry, 10-27, Volume: 65, Issue:20
ISSN: 1520-4804		Comparative Analysis of Small-Molecule LIMK1/2 Inhibitors: Chemical Synthesis, Biochemistry, and Cellular Activity.
AID1629281Inhibition of GST-tagged Trypanosoma brucei ERK8 expressed in Escherichia coli using recombinant myelin basic protein as substrate after 30 mins in presence of 32P-gamma-ATP by Michaelis-Menten analysis2016Bioorganic & medicinal chemistry, 10-01, Volume: 24, Issue:19
ISSN: 1464-3391		Discovery and antiparasitic activity of AZ960 as a Trypanosoma brucei ERK8 inhibitor.
AID1629280Inhibition of GST-tagged Trypanosoma brucei ERK8 autophosphorylation expressed in Escherichia coli using myelin basic protein as substrate after 30 mins in presence of 32P-gamma-ATP by SDS-PAGE based autoradiography2016Bioorganic & medicinal chemistry, 10-01, Volume: 24, Issue:19
ISSN: 1464-3391		Discovery and antiparasitic activity of AZ960 as a Trypanosoma brucei ERK8 inhibitor.
AID596562Inhibition of JAK2 after 60 min2011Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10
ISSN: 1464-3405		In vitro and in vivo evaluation of 6-aminopyrazolyl-pyridine-3-carbonitriles as JAK2 kinase inhibitors.
AID1857476Inhibition of LIMK1/LIMK2 in human SH-SY5Y cells assessed as effect on phospho cofilin serine 3 phosphorylation incubated for 2 hr by AlphaLISA SureFire assay2022Journal of medicinal chemistry, 10-27, Volume: 65, Issue:20
ISSN: 1520-4804		Comparative Analysis of Small-Molecule LIMK1/2 Inhibitors: Chemical Synthesis, Biochemistry, and Cellular Activity.
AID1857472Inhibition of PAK mediated recombinant LIMK1 phosphorylation (330 to 637 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 105 mins by RapidFire Mass Spectrometry kinase assay2022Journal of medicinal chemistry, 10-27, Volume: 65, Issue:20
ISSN: 1520-4804		Comparative Analysis of Small-Molecule LIMK1/2 Inhibitors: Chemical Synthesis, Biochemistry, and Cellular Activity.
AID1629278Antiparasitic activity against bloodstream form of Trypanosoma brucei 221 infected in mouse VSMC assessed as reduction in parasitic proliferation after 48 hrs by cell titer-glo based assay2016Bioorganic & medicinal chemistry, 10-01, Volume: 24, Issue:19
ISSN: 1464-3391		Discovery and antiparasitic activity of AZ960 as a Trypanosoma brucei ERK8 inhibitor.
AID1857475Inhibition of recombinant LIMK2(unknown origin) expressed in HEK293 cells using NanoGlo substrate incubated for 2 hrs followed by substrate addition by NanoBRET assay2022Journal of medicinal chemistry, 10-27, Volume: 65, Issue:20
ISSN: 1520-4804		Comparative Analysis of Small-Molecule LIMK1/2 Inhibitors: Chemical Synthesis, Biochemistry, and Cellular Activity.
AID1857470Inhibition of recombinant LIMK1 (330 to 637 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 105 mins by RapidFire Mass Spectrometry kinase assay2022Journal of medicinal chemistry, 10-27, Volume: 65, Issue:20
ISSN: 1520-4804		Comparative Analysis of Small-Molecule LIMK1/2 Inhibitors: Chemical Synthesis, Biochemistry, and Cellular Activity.
AID1629279Inhibition of JAK2 V617F mutant (unknown origin) using L-Ahx-IPTSPITTTYFFFKKK-COOH as substrate in presence of ATP2016Bioorganic & medicinal chemistry, 10-01, Volume: 24, Issue:19
ISSN: 1464-3391		Discovery and antiparasitic activity of AZ960 as a Trypanosoma brucei ERK8 inhibitor.
AID1857473Inhibition of PAK mediated recombinant LIMK2 phosphorylation (347 to 659 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 180 mins by RapidFire Mass Spectrometry kinase assay2022Journal of medicinal chemistry, 10-27, Volume: 65, Issue:20
ISSN: 1520-4804		Comparative Analysis of Small-Molecule LIMK1/2 Inhibitors: Chemical Synthesis, Biochemistry, and Cellular Activity.
AID596369Volume of distribution at steady state in Han Wistar rat at 10 mg/kg, po and 3 mg/kg, iv2011Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10
ISSN: 1464-3405		In vitro and in vivo evaluation of 6-aminopyrazolyl-pyridine-3-carbonitriles as JAK2 kinase inhibitors.
AID596565Inhibition of TEL-fused JAK3-induced proliferative activity against mouse BA/F3 cells2011Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10
ISSN: 1464-3405		In vitro and in vivo evaluation of 6-aminopyrazolyl-pyridine-3-carbonitriles as JAK2 kinase inhibitors.
AID1629276Antiparasitic activity against bloodstream form of Trypanosoma brucei 221 infected in mouse VSMC assessed as reduction in log10 RLU at 1 uM after 48 hrs by luciferase reporter gene assay2016Bioorganic & medicinal chemistry, 10-01, Volume: 24, Issue:19
ISSN: 1464-3391		Discovery and antiparasitic activity of AZ960 as a Trypanosoma brucei ERK8 inhibitor.
AID596365Growth inhibition of human SET2 cells expressing JAK2 V617F mutant after 48 hrs by alamar blue assay2011Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10
ISSN: 1464-3405		In vitro and in vivo evaluation of 6-aminopyrazolyl-pyridine-3-carbonitriles as JAK2 kinase inhibitors.
AID1629284Cytotoxicity against mouse VSMC assessed as cell growth inhibition2016Bioorganic & medicinal chemistry, 10-01, Volume: 24, Issue:19
ISSN: 1464-3391		Discovery and antiparasitic activity of AZ960 as a Trypanosoma brucei ERK8 inhibitor.
AID596370Oral bioavailability in Han Wistar rat at 10 mg/kg2011Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10
ISSN: 1464-3405		In vitro and in vivo evaluation of 6-aminopyrazolyl-pyridine-3-carbonitriles as JAK2 kinase inhibitors.
AID1857474Inhibition of recombinant LIMK1(unknown origin) expressed in HEK293 cells using NanoGlo substrate incubated for 2 hrs followed by substrate addition by NanoBRET assay2022Journal of medicinal chemistry, 10-27, Volume: 65, Issue:20
ISSN: 1520-4804		Comparative Analysis of Small-Molecule LIMK1/2 Inhibitors: Chemical Synthesis, Biochemistry, and Cellular Activity.
AID1629277Antiparasitic activity against bloodstream form of Trypanosoma brucei 221 infected in mouse VSMC assessed as parasitic proliferation at 1 uM after 48 hrs by luciferase reporter gene assay2016Bioorganic & medicinal chemistry, 10-01, Volume: 24, Issue:19
ISSN: 1464-3391		Discovery and antiparasitic activity of AZ960 as a Trypanosoma brucei ERK8 inhibitor.
AID1629283Selectivity ratio of IC50 for rat ins-1 cells to IC50 for bloodstream form of Trypanosoma brucei 2212016Bioorganic & medicinal chemistry, 10-01, Volume: 24, Issue:19
ISSN: 1464-3391		Discovery and antiparasitic activity of AZ960 as a Trypanosoma brucei ERK8 inhibitor.
AID596563Inhibition of JAK3 after 60 min2011Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10
ISSN: 1464-3405		In vitro and in vivo evaluation of 6-aminopyrazolyl-pyridine-3-carbonitriles as JAK2 kinase inhibitors.
AID596564Inhibition of TEL-fused JAK2-induced proliferation of mouse BA/F3 cells2011Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10
ISSN: 1464-3405		In vitro and in vivo evaluation of 6-aminopyrazolyl-pyridine-3-carbonitriles as JAK2 kinase inhibitors.
AID596366Intrinsic clearance in Han Wistar rat microsomes at 10 mg/kg, po and 3 mg/kg, iv2011Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10
ISSN: 1464-3405		In vitro and in vivo evaluation of 6-aminopyrazolyl-pyridine-3-carbonitriles as JAK2 kinase inhibitors.
AID1745854NCATS anti-infectives library activity on HEK293 viability as a counter-qHTS vs the C. elegans viability qHTS2023Disease models & mechanisms, 03-01, Volume: 16, Issue:3
ISSN: 1754-8411		In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID1745855NCATS anti-infectives library activity on the primary C. elegans qHTS viability assay2023Disease models & mechanisms, 03-01, Volume: 16, Issue:3
ISSN: 1754-8411		In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID1345714Human Janus kinase 2 (Janus kinase (JakA) family)2008The Journal of biological chemistry, Nov-21, Volume: 283, Issue:47
ISSN: 0021-9258		Effects of the JAK2 inhibitor, AZ960, on Pim/BAD/BCL-xL survival signaling in the human JAK2 V617F cell line SET-2.

Research

Studies (14)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (7.14)29.6817
2010's4 (28.57)24.3611
2020's9 (64.29)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other14 (100.00%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
aminolevulinic acid
1
4-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid		antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite		202320231.0low000001
coumarin
1
coumarinsfluorescent dye;
human metabolite;
plant metabolite		202320231.0low000001
salicylic acid
1
monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite		202320231.0low000001
thioctic acid
1
dithiolanes;
heterocyclic fatty acid;
thia fatty acid		fundamental metabolite;
geroprotector		202320231.0low000001
picolinic acid
1
pyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material		202320231.0low000001
thiamine
1
primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		202320231.0low000001
3-aminobenzamide
1
benzamides;
substituted aniline		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor202320231.0low000001
pleconaril
1
202320231.0low000001
4-(2-aminoethyl)benzenesulfonylfluoride
1
202320231.0low000001
phenytoin
1
imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent		202320231.0low000001
acetazolamide
1
monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		202320231.0low000001
alprenolol
1
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		202320231.0low000001
amantadine
1
adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic		202320231.0low000001
2-aminothiazole
1
1,3-thiazoles;
primary amino compound		202320231.0low000001
amodiaquine
1
aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug		202320231.0low000001
aspirin
1
benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent		202320231.0low000001
baclofen
1
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant		202320231.0low000001
benzamide
1
benzamides202320231.0low000001
camostat
1
benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide		anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor		202320231.0low000001
camphor, (+-)-isomer
1
bornane monoterpenoid;
cyclic monoterpene ketone		plant metabolite202320231.0low000001
candesartan
1
benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		202320231.0low000001
cetylpyridinium
1
pyridinium ion202320231.0low000001
chloroxylenol
1
monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide		202320231.0low000001
chlorpromazine
1
organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug		202320231.0low000001
ciprofibrate
1
cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug202320231.0low000001
clomipramine
1
dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor		202320231.0low000001
danthron
1
dihydroxyanthraquinoneapoptosis inducer;
plant metabolite		202320231.0low000001
deferiprone
1
4-pyridonesiron chelator;
protective agent		202320231.0low000001
dipyridamole
1
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		202320231.0low000001
disulfiram
1
organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor		202320231.0low000001
valproic acid
1
branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent		202320231.0low000001
doxazosin
1
aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent		202320231.0low000001
ebselen
1
benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger		202320231.0low000001
etidronate
1
1,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator		202320231.0low000001
2-hexyloxybenzamide
1
aromatic ether;
benzamides		antifungal agent202320231.0low000001
brl 42810
1
2-aminopurines;
acetate ester		antiviral drug;
prodrug		202320231.0low000001
fluphenazine
1
N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug		202320231.0low000001
fluorouracil
1
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		202320231.0low000001
gabexate
1
benzoate ester202320231.0low000001
glutaral
1
dialdehydecross-linking reagent;
disinfectant;
fixative		202320231.0low000001
fasudil
1
isoquinolines;
N-sulfonyldiazepane		antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent		202320231.0low000001
haloperidol
1
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		202320231.0low000001
miltefosine
1
phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor		202320231.0low000001
hexylresorcinol
1
resorcinols202320231.0low000001
beta-thujaplicin
1
cyclic ketone;
enol;
monoterpenoid		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite		202320231.0low000001
hycanthone
1
thioxanthenesmutagen;
schistosomicide drug		202320231.0low000001
hydrochlorothiazide
1
benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		202320231.0low000001
hydroxyurea
1
one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent		202320231.0low000001
ibuprofen
1
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		202320231.0low000001
indomethacin
1
aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic		202320231.0low000001
avapro
1
azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		202320231.0low000001
itraconazole
1
piperazines202320231.0low000001
kojic acid
1
4-pyranones;
enol;
primary alcohol		Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent		202320231.0low000001
lapachol
1
202320231.0low000001
loperamide
1
monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist		202320231.0low000001
loratadine
1
benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist		202320231.0low000001
losartan
1
biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist		202320231.0low000001
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide
1
benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		202320231.0low000001
mafenide
1
aromatic amine202320231.0low000001
methazolamide
1
sulfonamide;
thiadiazoles		202320231.0low000001
methocarbamol
1
aromatic ether;
carbamate ester;
secondary alcohol		202320231.0low000001
mitoxantrone
1
dihydroxyanthraquinoneanalgesic;
antineoplastic agent		202320231.0low000001
entinostat
1
benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		202320231.0low000001
ethylmaleimide
1
maleimidesanticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor		202320231.0low000001
nabumetone
1
methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		202320231.0low000001
nafamostat
1
benzoic acids;
guanidines		202320231.0low000001
nevirapine
1
cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
omeprazole
1
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		202320231.0low000001
osalmide
1
organic molecular entity202320231.0low000001
oxethazaine
1
amino acid amide202320231.0low000001
palmidrol
1
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine		anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent		202320231.0low000001
papaverine
1
benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent		202320231.0low000001
pentoxifylline
1
oxopurine202320231.0low000001
perhexiline
1
piperidinescardiovascular drug202320231.0low000001
phenazopyridine
1
diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic		202320231.0low000001
4-phenylbutyric acid
1
monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug		202320231.0low000001
phenylmethylsulfonyl fluoride
1
acyl fluorideserine proteinase inhibitor202320231.0low000001
pimobendan
1
benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		202320231.0low000001
pj-34
1
phenanthridines;
secondary carboxamide;
tertiary amino compound		angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent		202320231.0low000001
praziquantel
1
isoquinolines202320231.0low000001
probenecid
1
benzoic acids;
sulfonamide		uricosuric drug202320231.0low000001
probucol
1
dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug		202320231.0low000001
promazine
1
phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist		202320231.0low000001
promethazine
1
phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative		202320231.0low000001
propranolol
1
naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic		202320231.0low000001
rimantadine
1
alkylamine202320231.0low000001
rolipram
1
pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		202320231.0low000001
scriptaid
1
isoquinolines202320231.0low000001
sebacic acid
1
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		human metabolite;
plant metabolite		202320231.0low000001
fenofibrate
1
benzochromenone;
delta-lactone;
naphtho-alpha-pyrone		platelet aggregation inhibitor;
Sir2 inhibitor		202320231.0low000001
imatinib
1
aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		202320231.0low000001
suprofen
1
aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		202320231.0low000001
thalidomide
1
phthalimides;
piperidones		202320231.0low000001
ticlopidine
1
monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor		202320231.0low000001
triamterene
1
pteridinesdiuretic;
sodium channel blocker		202320231.0low000001
trifluoperazine
1
N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug		202320231.0low000001
triflupromazine
1
organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic		202320231.0low000001
trigonelline
1
alkaloid;
iminium betaine		food component;
human urinary metabolite;
plant metabolite		202320231.0low000001
trimethobenzamide
1
benzamides;
tertiary amino compound		antiemetic202320231.0low000001
trimethoprim
1
aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic		202320231.0low000001
tyrphostin a9
1
alkylbenzenegeroprotector202320231.0low000001
delavirdine
1
aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide		antiviral drug;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
vesnarinone
1
organic molecular entity202320231.0low000001
idoxuridine
1
organoiodine compound;
pyrimidine 2'-deoxyribonucleoside		antiviral drug;
DNA synthesis inhibitor		202320231.0low000001
chloramphenicol
1
C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor		202320231.0low000001
lysine
1
aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		202320231.0low000001
phenylethyl alcohol
1
benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite		202320231.0low000001
zoxazolamine
1
benzoxazole202320231.0low000001
cycloheximide
1
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		202320231.0low000001
ficusin
1
psoralensplant metabolite202320231.0low000001
tubercidin
1
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite		202320231.0low000001
trifluridine
1
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor		202320231.0low000001
9,10-anthraquinone
1
anthraquinone202320231.0low000001
salicylanilide
1
benzanilide fungicide;
salicylamides;
salicylanilides		202320231.0low000001
gramine
1
aminoalkylindole;
indole alkaloid;
tertiary amino compound		antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist		202320231.0low000001
aminacrine
1
aminoacridines;
primary amino compound		acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen		202320231.0low000001
methyl gallate
1
gallate esteranti-inflammatory agent;
antioxidant;
plant metabolite		202320231.0low000001
monobenzone
1
benzyl etherallergen;
dermatologic drug;
melanin synthesis inhibitor		202320231.0low000001
pyrazolanthrone
1
anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector		201620168.0low000010
ditiocarb
1
dithiocarbamic acidschelator;
copper chelator		202320231.0low000001
catechin
1
catechinantioxidant;
plant metabolite		202320231.0low000001
azacitidine
1
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent202320231.0low000001
lucanthone
1
thioxanthenesadjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug		202320231.0low000001
cepharanthine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		202320231.0low000001
aloe emodin
1
aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite		202320231.0low000001
chrysophanic acid
1
dihydroxyanthraquinoneanti-inflammatory agent;
antiviral agent;
plant metabolite		202320231.0low000001
emetine
1
isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor		202320231.0low000001
osthol
1
botanical anti-fungal agent;
coumarins		metabolite202320231.0low000001
flavanone
1
flavanones202320231.0low000001
phloretic acid
1
hydroxy monocarboxylic acidplant metabolite202320231.0low000001
oleanolic acid
1
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite202320231.0low000001
angelicin
1
furanocoumarin202320231.0low000001
diperodon
1
carbamate ester202320231.0low000001
megestrol acetate
1
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive		202320231.0low000001
acetylcysteine
1
acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary		202320231.0low000001
hydroxychloroquine sulfate
1
202320231.0low000001
ethambutol
1
ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic		202320231.0low000001
metformin hydrochloride
1
hydrochlorideenvironmental contaminant;
hypoglycemic agent;
xenobiotic		202320231.0low000001
antimycin a
1
benzamides;
formamides;
macrodiolide;
phenols		antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide		202320231.0low000001
5,5'-dimethyl-2,2'-bipyridyl
1
bipyridines202320231.0medium000001
dichlorobenzyl alcohol
1
benzyl alcohols;
dichlorobenzene		antiseptic drug202320231.0low000001
stavudine
1
dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		202320231.0low000001
dideoxyadenosine
1
adenosines;
purine 2',3'-dideoxyribonucleoside		EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor		202320231.0low000001
vidarabine
1
beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic		202320231.0low000001
3-deazaadenosine
1
202320231.0low000001
zalcitabine
1
pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
ancitabine
1
diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug		202320231.0low000001
chloropyramine
1
aminopyridine202320231.0low000001
levamisole
1
6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazoleantinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator		202320231.0low000001
n'-nitrosonornicotine
1
pyridines;
pyrrolidines		202320231.0low000001
daunorubicin
1
aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite		202320231.0low000001
zidovudine
1
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
ribavirin
1
1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		202320231.0low000001
pyridoxal phosphate
1
pyridinecarbaldehyde202320231.0medium000001
nitazoxanide
1
benzamides;
carboxylic ester		202320231.0low000001
captopril
1
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		202320231.0low000001
oltipraz
1
1,2-dithiole;
pyrazines		angiogenesis modulating agent;
antimutagen;
antineoplastic agent;
antioxidant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
neurotoxin;
protective agent;
schistosomicide drug		202320231.0low000001
fiacitabine
1
202320231.0low000001
ranolazine
1
aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol		202320231.0low000001
brequinar
1
biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor		202320231.0low000001
imiquimod
1
imidazoquinolineantineoplastic agent;
interferon inducer		202320231.0low000001
adefovir
1
6-aminopurines;
ether;
phosphonic acids		antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent		202320231.0low000001
cidofovir anhydrous
1
phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent		202320231.0low000001
celgosivir
1
202320231.0low000001
gemcitabine
1
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic		202320231.0low000001
lamivudine
1
monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug		202320231.0low000001
valsartan
1
biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		202320231.0low000001
zanamivir
1
guanidinesantiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor		202320231.0low000001
adefovir dipivoxil
1
6-aminopurines;
carbonate ester;
ether;
organic phosphonate		antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug		202320231.0low000001
emtricitabine
1
monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone		antiviral drug;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
octyl gallate
1
gallate esterfood antioxidant;
hypoglycemic agent;
plant metabolite		202320231.0low000001
efavirenz
1
acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
nelfinavir
1
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor		202320231.0low000001
betulinic acid
1
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite		202320231.0low000001
arctigenin
1
lignan202320231.0low000001
baicalin
1
dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative		antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug		202320231.0low000001
plerixafor
1
azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant		202320231.0low000001
amprenavir
1
carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor		202320231.0low000001
oseltamivir
1
acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic		202320231.0low000001
epigallocatechin gallate
1
flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite		202320231.0low000001
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
1
gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger		202320231.0low000001
cephalotaxine
1
benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound		202320231.0medium000001
desipramine hydrochloride
1
hydrochloridedrug allergen202320231.0low000001
mefloquine hydrochloride
1
hydrochloride202320231.0low000001
aloxistatin
1
epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor		202320231.0low000001
propazole
1
benzimidazoles202320231.0low000001
prulifloxacin
1
fluoroquinolone antibiotic;
quinolone antibiotic		202320231.0low000001
telmisartan
1
benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic		202320231.0low000001
bergenin
1
trihydroxybenzoic acidmetabolite202320231.0low000001
zoledronic acid
1
1,1-bis(phosphonic acid);
imidazoles		bone density conservation agent202320231.0low000001
artemisinin
1
organic peroxide;
sesquiterpene lactone		antimalarial;
plant metabolite		202320231.0low000001
brinzolamide
1
sulfonamide;
thienothiazine		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		202320231.0low000001
dipropylacetamide
1
fatty amidegeroprotector;
metabolite;
teratogenic agent		202320231.0low000001
oxprenolol hydrochloride
1
202320231.0low000001
opipramol hydrochloride
1
202320231.0low000001
moroxydine
1
biguanides202320231.0low000001
thioxolone
1
benzoxathioleantiseborrheic202320231.0low000001
honokiol
1
biphenyls202320231.0low000001
nobiletin
1
methoxyflavoneantineoplastic agent;
plant metabolite		202320231.0low000001
lycorine
1
indolizidine alkaloidanticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor		202320231.0low000001
leupeptin
1
aldehyde;
tripeptide		bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor		202320231.0low000001
tetrandrine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		202320231.0low000001
calpeptin
1
amino acid amide202320231.0low000001
fangchinoline
1
aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite		202320231.0low000001
maslinic acid
1
dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite		202320231.0low000001
atovaquone
1
hydroxy-1,2-naphthoquinone202320231.0low000001
loganin
1
beta-D-glucoside;
cyclopentapyran;
enoate ester;
iridoid monoterpenoid;
methyl ester;
monosaccharide derivative;
secondary alcohol		anti-inflammatory agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.4.23.46 (memapsin 2) inhibitor;
neuroprotective agent;
plant metabolite		202320231.0low000001
moexipril
1
peptide202320231.0low000001
aucubin
1
organic molecular entitymetabolite202320231.0low000001
catalpol
1
organic molecular entitymetabolite202320231.0low000001
lekoptin
1
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile202320231.0low000001
n-methyladenosine
1
methyladenosine202320231.0low000001
sivelestat
1
N-acylglycine;
pivalate ester		202320231.0low000001
pyronaridine
1
aminoquinoline202320231.0low000001
geniposide
1
terpene glycoside202320231.0low000001
daidzin
1
7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative		plant metabolite202320231.0low000001
sophocarpine
1
202320231.0low000001
marimastat
1
hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor		202320231.0low000001
elacridar
1
202320231.0low000001
celastrol
1
monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite		202320231.0low000001
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine
1
leucine derivative202320231.0low000001
vadimezan
1
monocarboxylic acid;
xanthones		antineoplastic agent202320231.0low000001
e 64
1
dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor		202320231.0low000001
umifenovir
1
indolyl carboxylic acid202320231.0low000001
safinamide
1
amino acid amide202320231.0low000001
ilomastat
1
hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent		202320231.0low000001
atazanavir
1
carbohydrazideantiviral drug;
HIV protease inhibitor		202320231.0low000001
vx 497
1
202320231.0low000001
bcx 1812
1
3-hydroxy monocarboxylic acid;
acetamides;
cyclopentanols;
guanidines		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor		202320231.0low000001
naproxen
1
methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		202320231.0low000001
olmesartan
1
biphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent		202320231.0low000001
telbivudine
1
pyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		202320231.0low000001
celastrol methyl ester
1
carboxylic ester202320231.0low000001
resiquimod
1
imidazoquinoline202320231.0low000001
tanshinone ii a
1
abietane diterpenoid202320231.0low000001
anacardic acid
1
hydroxy monocarboxylic acid;
hydroxybenzoic acid		anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite		202320231.0low000001
migalastat
1
piperidines202320231.0low000001
erlotinib
1
aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor		202320231.0low000001
limonin
1
epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component		202320231.0low000001
scutellarin
1
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antineoplastic agent;
proteasome inhibitor		202320231.0low000001
etravirine
1
aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
chelidonine
1
alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid		202320231.0low000001
4-n-butylresorcinol
1
resorcinols202320231.0low000001
darunavir
1
carbamate ester;
furofuran;
sulfonamide		antiviral drug;
HIV protease inhibitor		202320231.0low000001
dapivirine
1
202320231.0low000001
nsc 74859
1
amidobenzoic acid;
monohydroxybenzoic acid;
tosylate ester		STAT3 inhibitor202320231.0low000001
berbamine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		202320231.0low000001
u-104
1
202320231.0low000001
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one
1
glycoside202320231.0medium000001
bortezomib
1
amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor		202320231.0low000001
ritonavir
1
1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic		202320231.0low000001
tizoxanide
1
salicylamides202320231.0low000001
arbutin
1
beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite		202320231.0low000001
quinidine
1
cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker		202320231.0low000001
conessine
1
steroid alkaloid;
tertiary amino compound		antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite		202320231.0low000001
saquinavir
1
L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor		202320231.0low000001
abacavir
1
2,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
linezolid
1
acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor		202320231.0low000001
cephaelin
1
pyridoisoquinoline202320231.0low000001
(-)-usnic acid
1
usnic acidEC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor202320231.0medium000001
acetylleucyl-leucyl-norleucinal
1
aldehyde;
tripeptide		cysteine protease inhibitor202320231.0low000001
resveratrol
1
resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger		202320231.0low000001
tacrolimus
1
macrolide lactambacterial metabolite;
immunosuppressive agent		202320231.0low000001
lycopene
1
acyclic caroteneantioxidant;
plant metabolite		202320231.0low000001
zithromax
1
macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic		202320231.0low000001
roflumilast
1
aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound		anti-asthmatic drug;
phosphodiesterase IV inhibitor		202320231.0low000001
L-cycloserine
1
4-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor		202320231.0low000001
h 89
1
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide202320231.0low000001
bevirimat
1
dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite		202320231.0low000001
benzyloxycarbonylleucyl-leucyl-leucine aldehyde
1
amino aldehyde;
carbamate ester;
tripeptide		proteasome inhibitor202320231.0low000001
tenofovir
1
nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
posaconazole
1
aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug202320231.0low000001
gw 257406x
1
202320231.0low000001
shikonin
1
hydroxy-1,4-naphthoquinone202320231.0low000001
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide
1
tropane alkaloid202320231.0medium000001
cmx 001
1
202320231.0low000001
amd 8664
1
202320231.0medium000001
bay 41-4109
1
202320231.0low000001
bay 57-1293
1
202320231.0low000001
2'-c-methylcytidine
1
202320231.0low000001
isoxanthohumol
1
flavanones202320231.0low000001
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide
1
aromatic ether202320231.0low000001
mecarbinate
1
202320231.0low000001
acetyl-aspartyl-glutamyl-valyl-aspartal
1
tetrapeptideprotease inhibitor202320231.0low000001
octotropine methylbromide
1
202320231.0low000001
mercaptopurine
1
aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent		202320231.0low000001
jrf 12
1
202320231.0low000001
3,4'-dihydroxyflavone
1
202320231.0medium000001
3-(3,4-dimethoxyphenyl)propenoic acid
1
methoxycinnamic acid202320231.0low000001
isoferulic acid
1
ferulic acidsantioxidant;
biomarker;
metabolite		202320231.0low000001
cyclouridine
1
202320231.0medium000001
curcumin
1
aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger		202320231.0low000001
zucapsaicin
1
methoxybenzenes;
phenols		202320231.0low000001
nbd 556
1
202320231.0low000001
thioguanine anhydrous
1
2-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent		202320231.0low000001
4,5,6,7-tetrachloroindan-1,3-dione
1
202320231.0high000001
srpin340
1
202320231.0low000001
pr-619
1
202320231.0medium000001
p5091
1
202320231.0low000001
trovirdine
1
202320231.0low000001
fti 277
1
202320231.0high000001
u 0126
1
aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent		202320231.0low000001
vicriviroc
1
(trifluoromethyl)benzenes202320231.0low000001
telaprevir
1
cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic		202320231.0low000001
bms 387032
1
1,3-oxazoles;
1,3-thiazoles;
organic sulfide;
piperidinecarboxamide;
secondary carboxamide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		201620168.0low000010
orlistat
1
beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor		202320231.0low000001
dasatinib
2
1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		202220231.5low000002
yya-021
1
202320231.0medium000001
sb 415286
1
C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		202320231.0low000001
sitagliptin
1
triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic		202320231.0low000001
tak-220
1
202320231.0medium000001
jtk-303
1
aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		HIV-1 integrase inhibitor202320231.0low000001
nbd 557
1
202320231.0medium000001
5'-o-caffeoylquinic acid
1
cinnamate ester;
cyclitol carboxylic acid		plant metabolite202320231.0medium000001
luteolin-7-glucoside
1
beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antioxidant;
plant metabolite		202320231.0low000001
cyclosporine
1
202320231.0low000001
harmine
1
harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite		202320231.0low000001
eprosartan
1
dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		202320231.0low000001
mycophenolate mofetil
1
carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug		202320231.0low000001
entacapone
1
2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor		202320231.0low000001
amentoflavone
1
biflavonoid;
hydroxyflavone;
ring assembly		angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite		202320231.0low000001
baicalein
1
trihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger		202320231.0low000001
genkwanin
1
dihydroxyflavone;
monomethoxyflavone		metabolite202320231.0low000001
hyperoside
1
beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		hepatoprotective agent;
plant metabolite		202320231.0low000001
mangostin
1
aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite		202320231.0low000001
3-methylquercetin
1
7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite		202320231.0low000001
kaempferide
1
7-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone		antihypertensive agent;
metabolite		202320231.0low000001
orientin
1
3'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone		antioxidant;
metabolite		202320231.0low000001
scutellarein
1
tetrahydroxyflavonemetabolite202320231.0low000001
trans-2,3',4,5'-tetrahydroxystilbene
1
stilbenoid202320231.0low000001
polydatin
1
beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator		202320231.0low000001
chicoric acid
1
organooxygen compoundgeroprotector;
HIV-1 integrase inhibitor		202320231.0low000001
acteoside
1
catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol		anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite		202320231.0low000001
dorzolamide
1
sulfonamide;
thiophenes		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		202320231.0low000001
topiramate
1
cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker		202320231.0low000001
benzyloxycarbonyl-phe-ala-fluormethylketone
1
202320231.0high000001
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester
1
carboxylic ester;
difluorobenzene;
dipeptide;
tert-butyl ester		EC 3.4.23.46 (memapsin 2) inhibitor202320231.0low000001
casticin
1
dihydroxyflavone;
tetramethoxyflavone		apoptosis inducer;
plant metabolite		202320231.0low000001
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
1
dihydroxyflavone;
monomethoxyflavone		antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor		202320231.0low000001
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside
1
beta-D-glucoside;
resorcinols;
stilbenoid		anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
cyclooxygenase 2 inhibitor;
platelet aggregation inhibitor		202320231.0low000001
tyrphostin ag 555
1
202320231.0low000001
pd 151746
1
202320231.0medium000001
lisinopril
1
dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor202320231.0low000001
verteporfin
1
202320231.0low000001
batimastat
1
hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor		202320231.0low000001
indinavir sulfate
1
dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor202320231.0low000001
solanesol
1
nonaprenol;
primary alcohol		plant metabolite202320231.0low000001
pepstatin
1
pentapeptide;
secondary carboxamide		bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor		202320231.0low000001
l 685458
1
carbamate ester;
monocarboxylic acid amide;
peptide;
secondary alcohol		EC 3.4.23.46 (memapsin 2) inhibitor;
peptidomimetic		202320231.0low000001
bms 806
1
202320231.0low000001
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone
1
202320231.0medium000001
tulobuterol hydrochloride
1
organic molecular entity202320231.0low000001
salubrinal
1
aminal;
organochlorine compound;
quinolines;
secondary carboxamide;
thioureas		202320231.0low000001
germacrone
1
germacrane sesquiterpenoid;
olefinic compound		androgen antagonist;
anti-inflammatory agent;
antifeedant;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antioxidant;
antitussive;
antiviral agent;
apoptosis inducer;
autophagy inducer;
hepatoprotective agent;
insecticide;
neuroprotective agent;
plant metabolite;
volatile oil component		202320231.0low000001
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid
1
202320231.0low000001
lithospermic acid
1
202320231.0medium000001
laq824
1
202320231.0low000001
ekb 569
1
aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile		protein kinase inhibitor202320231.0low000001
rilpivirine
1
aminopyrimidine;
nitrile		EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
1
germacranolide202320231.0medium000001
4,5-di-O-caffeoylquinic acid
1
quinic acid202320231.0low000001
indigo carmine
1
202320231.0low000001
artesunate
1
artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer		202320231.0low000001
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
1
oligopeptide202320231.0low000001
vildagliptin
1
amino acid amide202320231.0low000001
belinostat
1
hydroxamic acid;
olefinic compound;
sulfonamide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		202320231.0low000001
hdac-42
1
amidobenzoic acid202320231.0low000001
3-methyl-n-(3-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)isoxazole-5-carboxamide
1
202220222.0medium000001
chlorhexidine
1
biguanides;
monochlorobenzenes		antibacterial agent;
antiinfective agent		202320231.0low000001
gs-7340
1
6-aminopurines;
ether;
isopropyl ester;
L-alanine derivative;
phosphoramidate ester		antiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug		202320231.0low000001
iniparib
1
carbonyl compound;
organohalogen compound		202320231.0low000001
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide
1
202320231.0low000001
pri-2205
1
202320231.0low000001
mk 0752
1
202320231.0low000001
givinostat
1
carbamate ester202320231.0low000001
pd 144418
1
202320231.0medium000001
bicyclol
1
202320231.0low000001
midostaurin
1
benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		202320231.0low000001
ly 450139
1
peptide202320231.0low000001
mocetinostat
1
aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent		202320231.0low000001
rivaroxaban
1
aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor		202320231.0low000001
sb 3ct compound
1
aromatic ether202320231.0low000001
ginsenoside rb1
1
ginsenoside;
glycoside;
tetracyclic triterpenoid		anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger		202320231.0low000001
rucaparib
1
azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		202320231.0low000001
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)-
1
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		202320231.0low000001
cetilistat
1
benzoxazine202320231.0low000001
ym 201636
1
aromatic amide202320231.0low000001
linagliptin
1
aminopiperidine;
quinazolines		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent		202320231.0low000001
azd 6244
1
benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		202320231.0low000001
odanacatib
1
202320231.0low000001
apilimod
1
202320231.0low000001
apixaban
1
aromatic ether;
lactam;
piperidones;
pyrazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor		202320231.0low000001
betrixaban
1
benzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor		202320231.0low000001
edoxaban
1
chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor		202320231.0low000001
saracatinib
1
aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent		202320231.0low000001
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide
1
tripeptide;
ureas		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic		202320231.0low000001
ly 411575
1
dibenzoazepine;
difluorobenzene;
lactam;
secondary alcohol		EC 3.4.23.46 (memapsin 2) inhibitor202320231.0low000001
galidesivir
1
202320231.0low000001
PB28
1
aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist		202320231.0low000001
degrasyn
1
202320231.0low000001
epoxomicin
1
morpholines;
tripeptide		proteasome inhibitor202320231.0low000001
bms 477118
1
adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent		202320231.0low000001
pha 680632
2
202220231.5medium000002
tmc 353121
1
202320231.0medium000001
amd 070
1
aminoquinoline202320231.0low000001
danoprevir
1
202320231.0low000001
bms-626529
1
202320231.0low000001
bms-663068
1
202320231.0low000001
amenamevir
1
202320231.0low000001
vx 765
1
dipeptide202320231.0low000001
Dihydrotanshinone I
1
abietane diterpenoidanticoronaviral agent202320231.0low000001
alogliptin
1
nitrile;
piperidines;
primary amino compound;
pyrimidines		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent		202320231.0low000001
fr 180204
1
pyrazoles;
ring assembly		202320231.0low000001
quisinostat
1
indoles202320231.0low000001
carfilzomib
1
epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor		202320231.0low000001
hcv 796
1
202320231.0low000001
resminostat
1
202320231.0low000001
zk 756326
1
aromatic ether202320231.0medium000001
balapiravir
1
202320231.0low000001
trametinib
1
acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		202320231.0low000001
deoxyarbutin
1
202320231.0low000001
abexinostat
1
benzofurans202320231.0low000001
silvestrol
1
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		202320231.0low000001
narlaprevir
1
azabicyclohexane;
cyclopropanes;
pyrrolidinecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide;
ureas		anticoronaviral agent;
antiviral drug;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
hepatitis C protease inhibitor		202320231.0low000001
teneligliptin
1
amino acid amide202320231.0medium000001
dextrothyroxine
1
202320231.0low000001
veliparib
1
benzimidazolesEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor202320231.0low000001
dactolisib
1
imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		201620168.0low000010
bgt226
1
aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		201620168.0low000010
pf 03491390
1
202320231.0low000001
alloin
1
anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite		202320231.0high000001
mdv 3100
1
(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent		202320231.0low000001
bms-650032
1
oligopeptide202320231.0low000001
rg 7128
1
202320231.0low000001
oritavancin
1
disaccharide derivative;
glycopeptide;
semisynthetic derivative		antibacterial drug;
antimicrobial agent		202320231.0low000001
azd 1480
1
2008200816.0low000100
pha 848125
1
201620168.0low000010
pevonedistat
1
cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate		antineoplastic agent;
apoptosis inducer		202320231.0low000001
uk 453,061
1
aromatic ether202320231.0low000001
azd5438
1
sulfonamide201620168.0low000010
N-(2-aminophenyl)-2-pyrazinecarboxamide
1
aromatic amide202320231.0high000001
tegobuvir
1
202320231.0low000001
pf-429242
1
202320231.0low000001
olaparib
1
cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		202320231.0low000001
cx 4945
1
202320231.0low000001
pci 34051
1
indolecarboxamide202320231.0low000001
lomibuvir
1
thiophenecarboxylic acid202320231.0low000001
delanzomib
1
C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative		antineoplastic agent;
apoptosis inducer;
proteasome inhibitor		202320231.0low000001
pitavastatin(1-)
1
hydroxy monocarboxylic acid anion202320231.0high000001
GRL-0617
1
benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline		anticoronaviral agent;
protease inhibitor		202320231.0low000001
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester
1
carbamate ester202320231.0low000001
niraparib
1
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamideantineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent		202320231.0low000001
jzl 184
1
benzodioxoles202320231.0low000001
gsk 650394
1
phenylpyridine202320231.0low000001
oprozomib
1
202320231.0low000001
golgicide a
1
diastereoisomeric mixturecis-Golgi ArfGEF GBF inhibitor202320231.0low000001
cobicistat
1
1,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas		P450 inhibitor202320231.0low000001
bms-790052
1
biphenyls;
carbamate ester;
carboxamide;
imidazoles;
valine derivative		antiviral drug;
nonstructural protein 5A inhibitor		202320231.0low000001
gsk 2126458
1
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent		201620168.0low000010
ixazomib
1
benzamides;
boronic acids;
dichlorobenzene;
glycine derivative		antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor		202320231.0low000001
ucph 101
1
202320231.0low000001
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
1
aryl sulfide;
thienopyrimidine		202320231.0low000001
baricitinib
1
azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent		202320231.0low000001
KOM70144
1
acetamides;
benzamides;
naphthalenes;
secondary carboxamide		anticoronaviral agent;
protease inhibitor		202320231.0high000001
e-52862
1
202320231.0low000001
ly2811376
1
202320231.0low000001
anagliptin
1
amino acid amide202320231.0low000001
gardiquimod
1
202320231.0low000001
grazoprevir
1
aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative		antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent		202320231.0low000001
abt-450
1
202320231.0low000001
letermovir
1
202320231.0low000001
sofosbuvir
1
isopropyl ester;
L-alanyl ester;
nucleotide conjugate;
organofluorine compound;
phosphoramidate ester		antiviral drug;
hepatitis C protease inhibitor;
prodrug		202320231.0low000001
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine
1
benzoxazole202320231.0low000001
blz 945
1
202320231.0medium000001
azd3839
1
202320231.0medium000001
ly2784544
1
pyridazines202220222.0low000001
pf 3084014
1
202320231.0low000001
unc 0638
1
quinazolines202320231.0low000001
gs-9620
1
202320231.0low000001
n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide
1
202320231.0low000001
bms 708163
1
oxadiazole;
ring assembly		202320231.0low000001
jq1 compound
1
carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer		202320231.0low000001
dinaciclib
1
pyrazolopyrimidine201620168.0low000010
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone
1
202320231.0low000001
gsk525762a
1
benzodiazepine202320231.0low000001
ML240
1
aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent202320231.0low000001
birinapant
1
dipeptide202320231.0low000001
ly2886721
1
202320231.0medium000001
nms-p118
1
202320231.0medium000001
tubastatin a
1
hydroxamic acid;
pyridoindole;
tertiary amino compound		EC 3.5.1.98 (histone deacetylase) inhibitor202320231.0low000001
pracinostat
1
benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		202320231.0low000001
spautin-1
1
202320231.0low000001
torin 2
1
aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline		antineoplastic agent;
mTOR inhibitor		201620168.0low000010
ldn 57444
1
202320231.0low000001
gsk1210151a
1
imidazoquinoline202320231.0low000001
i-bet726
1
202320231.0low000001
acy-1215
1
pyrimidinecarboxylic acid202320231.0low000001
chir 98014
1
aminopyrimidine;
C-nitro compound;
diaminopyridine;
dichlorobenzene;
imidazoles;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
hypoglycemic agent;
tau aggregation inhibitor;
Wnt signalling activator		202220222.0low000001
cudc-907
1
202320231.0low000001
mobic
1
1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		202320231.0low000001
tipranavir
1
sulfonamideantiviral drug;
HIV protease inhibitor		202320231.0low000001
tasquinimod
1
202320231.0low000001
gsk1265744
1
difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide		HIV-1 integrase inhibitor202320231.0low000001
abt-267
1
aromatic amide;
carbamate ester;
dipeptide;
pyrrolidines		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor		202320231.0low000001
abt-333
1
aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide		antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor		202320231.0low000001
rgfp966
1
202320231.0low000001
rg2833
1
202320231.0medium000001
pi-1840
1
202320231.0medium000001
LimKi 3
1
1,3-thiazoles;
dichlorobenzene;
organofluorine compound;
pyrazoles;
secondary carboxamide		LIM kinase inhibitor202220222.0low000001
acy-738
1
202320231.0medium000001
pelabresib
1
monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide		antineoplastic agent;
bromodomain-containing protein 4 inhibitor		202320231.0low000001
gs-5806
1
202320231.0low000001
doravirine
1
202320231.0low000001
gn6958
1
202320231.0high000001
vx-787
1
202320231.0low000001
ledipasvir
1
azaspiro compound;
benzimidazole;
bridged compound;
carbamate ester;
carboxamide;
fluorenes;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organofluorine compound		antiviral drug;
hepatitis C protease inhibitor		202320231.0low000001
gs-5816
1
carbamate ester;
ether;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heteropentacyclic compound;
ring assembly		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor		202320231.0low000001
g007-lk
1
202320231.0low000001
frax486
1
202220222.0medium000001
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide
1
202320231.0low000001
selinexor
1
202320231.0low000001
verdinexor
1
202320231.0low000001
cb-839
1
202320231.0low000001
mk-8742
1
carbamate ester;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heterotetracyclic compound;
ring assembly		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor;
hepatoprotective agent		202320231.0low000001
atglistatin
1
202320231.0low000001
xen445
1
202320231.0high000001
santacruzamate a
1
organonitrogen compound;
organooxygen compound		202320231.0medium000001
ldc4297
1
aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		202320231.0medium000001
enasidenib
1
1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		202320231.0low000001
s 8932
1
aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine		anticoronaviral agent;
antiviral drug;
prodrug		202320231.0low000001
entecavir
1
2-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		202320231.0low000001
acyclovir
1
2-aminopurines;
oxopurine		antimetabolite;
antiviral drug		202320231.0low000001
nu 1025
1
phenols;
quinazolines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor202320231.0low000001
didanosine
1
purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
ganciclovir
1
2-aminopurines;
oxopurine		antiinfective agent;
antiviral drug		202320231.0low000001
valacyclovir
1
L-valyl esterantiviral drug202320231.0low000001
penciclovir
1
2-aminopurines;
propane-1,3-diols		antiviral drug202320231.0low000001
4-hydroxyquinazoline
1
quinazolines202320231.0low000001
tegaserod
1
carboxamidine;
guanidines;
hydrazines;
indoles		gastrointestinal drug;
serotonergic agonist		202320231.0low000001
norclozapine
1
dibenzodiazepine;
organochlorine compound;
piperazines		delta-opioid receptor agonist;
metabolite;
serotonergic antagonist		202320231.0low000001
pemetrexed
1
N-acyl-L-glutamic acid;
pyrrolopyrimidine		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor		202320231.0low000001
aprepitant
1
(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist		202320231.0low000001
azilsartan
1
1,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent		202320231.0low000001
hesperadin
2
201620234.5low000011
6-bromoindirubin-3'-acetoxime
1
202320231.0high000001
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide
1
catechols;
hydrazide;
hydrazone;
naphthols		EC 3.6.5.5 (dynamin GTPase) inhibitor202320231.0medium000001
XL413
1
benzofuropyrimidine;
organochlorine compound;
pyrrolidines		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		202320231.0medium000001
pf-477736
1
202220222.0low000001
me0328
1
202320231.0medium000001
nvp-tnks656
1
202320231.0medium000001
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
African Sleeping Sickness0
1
201620168.0medium000010
Congenital Zika Syndrome0
1
202020204.0medium000010
Disease Models, Animal0
1
202020204.0medium000010
Kahler Disease0
1
202120213.0medium000001
Multiple Myeloma0
1
202120213.0medium000001
Trypanosomiasis, African0
1
201620168.0medium000010
Zika Virus Infection0
1
202020204.0medium000010

Bioavailability (1)

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