Detailed information for compound 1328487

Basic information

Technical information
  • TDR Targets ID: 1328487
  • Name: N-piperidin-4-yl-5-pyridin-3-ylpyrimidin-4-am ine
  • MW: 255.318 | Formula: C14H17N5
  • H donors: 2 H acceptors: 3 LogP: 1.2 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N1CCC(CC1)Nc1ncncc1c1cccnc1
  • InChi: 1S/C14H17N5/c1-2-11(8-16-5-1)13-9-17-10-18-14(13)19-12-3-6-15-7-4-12/h1-2,5,8-10,12,15H,3-4,6-7H2,(H,17,18,19)
  • InChiKey: KSYFHFRUUPWBAK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-piperidyl)-5-(3-pyridyl)pyrimidin-4-amine
  • N-(4-piperidinyl)-5-(3-pyridyl)-4-pyrimidinamine
  • 4-piperidyl-[5-(3-pyridyl)pyrimidin-4-yl]amine
  • N-piperidin-4-yl-5-pyridin-3-yl-pyrimidin-4-amine
  • NCGC00010561
  • PCOP-186179

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0352 0.2557
Schistosoma mansoni Smad4 0.0068 0.02 0.0274
Brugia malayi MH1 domain containing protein 0.0084 0.0273 0.0255
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0101 0.0352 0.0334
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0028 0.0018 0.5
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0059 0.016 0.0142
Loa Loa (eye worm) hypothetical protein 0.0379 0.1614 0.1598
Echinococcus multilocularis mothers against decapentaplegic 5 0.0152 0.0581 0.0918
Schistosoma mansoni tar DNA-binding protein 0.066 0.2887 0.4331
Schistosoma mansoni hypothetical protein 0.0688 0.3016 0.4526
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0059 0.016 0.1088
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0352 0.2557
Loa Loa (eye worm) MH2 domain-containing protein 0.2226 1 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0101 0.0352 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0688 0.3016 0.4897
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0059 0.016 0.0214
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0059 0.016 0.0214
Schistosoma mansoni tar DNA-binding protein 0.066 0.2887 0.4331
Loa Loa (eye worm) hypothetical protein 0.0084 0.0273 0.0255
Echinococcus granulosus GPCR family 2 0.0688 0.3016 0.4897
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0059 0.016 0.0232
Echinococcus multilocularis smad 0.0152 0.0581 0.0918
Leishmania major DNA polymerase eta, putative 0.0031 0.0034 0.0363
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0352 0.2557
Trichomonas vaginalis CAMK family protein kinase 0.005 0.012 0.0777
Schistosoma mansoni Smad4 0.0068 0.02 0.0274
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0059 0.016 0.0214
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0352 0.2557
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0059 0.016 0.1088
Loa Loa (eye worm) MH2 domain-containing protein 0.0152 0.0581 0.0563
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0229 0.0933 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0229 0.0933 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0229 0.0933 1
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0059 0.016 0.0232
Brugia malayi MH1 domain containing protein 0.0084 0.0273 0.0255
Loa Loa (eye worm) nuclear factor I 0.0084 0.0273 0.0255
Schistosoma mansoni hypothetical protein 0.0083 0.027 0.0379
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0059 0.016 0.0142
Echinococcus multilocularis GPCR, family 2 0.0688 0.3016 0.4897
Brugia malayi hypothetical protein 0.0059 0.016 0.0142
Schistosoma mansoni smad1 5 8 and 0.0152 0.0581 0.0849
Brugia malayi hypothetical protein 0.0165 0.0641 0.0624
Mycobacterium ulcerans putative regulatory protein 0.0043 0.0089 0.0544
Brugia malayi Isocitrate dehydrogenase 0.0229 0.0933 0.0916
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0059 0.016 0.0214
Echinococcus multilocularis tar DNA binding protein 0.066 0.2887 0.4686
Trypanosoma cruzi polo-like protein kinase, putative 0.0101 0.0352 0.3539
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0059 0.016 0.0232
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0059 0.016 0.0142
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.1376 0.614 0.6133
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0059 0.016 0.0232
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0059 0.016 0.0142
Echinococcus granulosus tar DNA binding protein 0.066 0.2887 0.4686
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0059 0.016 0.0142
Loa Loa (eye worm) pigment dispersing factor receptor c 0.2174 0.9765 0.9764
Brugia malayi serine/threonine-protein kinase plk-2 0.0101 0.0352 0.0334
Schistosoma mansoni GTP-binding protein alpha subunit 0.0059 0.016 0.0214
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0229 0.0933 1
Schistosoma mansoni GTP-binding protein alpha subunit 0.0059 0.016 0.0214
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0059 0.016 0.0214
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0059 0.016 0.0142
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0229 0.0933 0.1494
Toxoplasma gondii isocitrate dehydrogenase 0.0229 0.0933 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0152 0.0581 0.0918
Brugia malayi Smad1 0.0152 0.0581 0.0563
Loa Loa (eye worm) hypothetical protein 0.0044 0.0094 0.0076
Leishmania major hypothetical protein, conserved 0.0185 0.0734 0.7863
Entamoeba histolytica G protein alpha subunit, putative 0.0059 0.016 0.4253
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0094 0.0668
Loa Loa (eye worm) MH1 domain-containing protein 0.0152 0.0581 0.0563
Loa Loa (eye worm) hypothetical protein 0.0059 0.016 0.0142
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1376 0.614 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.066 0.2887 0.2874
Brugia malayi TAR-binding protein 0.066 0.2887 0.2874
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0059 0.016 0.0214
Trypanosoma brucei polo-like protein kinase 0.0101 0.0352 0.3077
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.2174 0.9765 0.9764
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1376 0.614 1
Loa Loa (eye worm) TAR-binding protein 0.066 0.2887 0.2874
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0352 0.2557
Brugia malayi mothers against decapentaplegic homolog 3 0.0068 0.02 0.0182
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0101 0.0352 0.0545
Onchocerca volvulus Serine\/threonine kinase homolog 0.0101 0.0352 0.1724
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0688 0.3016 0.3003
Toxoplasma gondii LsmAD domain-containing protein 0.0185 0.0734 0.7783
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0229 0.0933 0.1494
Trypanosoma cruzi PAB1-binding protein , putative 0.0185 0.0734 0.7783
Schistosoma mansoni serine/threonine protein kinase 0.0101 0.0352 0.0504
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0229 0.0933 0.1494
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0059 0.016 0.0232
Brugia malayi hypothetical protein 0.012 0.0435 0.0418
Echinococcus granulosus smad 0.0152 0.0581 0.0918
Loa Loa (eye worm) Smad1 0.0152 0.0581 0.0563
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0688 0.3016 0.4897
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0059 0.016 0.0214
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0059 0.016 0.0214
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0068 0.02 0.0724
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0059 0.016 0.0232
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1376 0.614 0.9243
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0688 0.3016 0.4897
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0059 0.016 0.0142
Loa Loa (eye worm) hypothetical protein 0.0197 0.0787 0.077
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0059 0.016 0.0142
Brugia malayi MH1 domain containing protein 0.0152 0.0581 0.0563
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0059 0.016 0.1088
Schistosoma mansoni hypothetical protein 0.0688 0.3016 0.4526
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.0089 0.0116
Brugia malayi Latrophilin receptor protein 2 0.0688 0.3016 0.3003
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0059 0.016 0.0232
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0059 0.016 0.1088
Schistosoma mansoni glutaminase 0.0315 0.1323 0.197
Trichomonas vaginalis glutaminase, putative 0.0315 0.1323 1
Echinococcus multilocularis dna polymerase eta 0.0044 0.0094 0.0123
Echinococcus multilocularis mothers against decapentaplegic 6 0.0068 0.02 0.0296
Brugia malayi PAS domain containing protein 0.0059 0.0159 0.0141
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0229 0.0933 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.0641 0.0624
Brugia malayi Calcitonin receptor-like protein seb-1 0.2174 0.9765 0.9764
Brugia malayi bHLH-PAS transcription factor 0.0043 0.0089 0.0071
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0059 0.016 0.0142
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1376 0.614 1
Echinococcus multilocularis mothers against decapentaplegic 2 0.0068 0.02 0.0296
Echinococcus granulosus dna polymerase eta 0.0044 0.0094 0.0123
Schistosoma mansoni tar DNA-binding protein 0.066 0.2887 0.4331
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0152 0.0581 0.0849
Loa Loa (eye worm) hypothetical protein 0.0185 0.0734 0.0717
Loa Loa (eye worm) MH1 domain-containing protein 0.0068 0.02 0.0182
Schistosoma mansoni tar DNA-binding protein 0.066 0.2887 0.4331
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0352 0.2557
Schistosoma mansoni single-minded 0.0059 0.0159 0.0212
Toxoplasma gondii isocitrate dehydrogenase 0.0229 0.0933 1
Loa Loa (eye worm) glutaminase 0.0315 0.1323 0.1307
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0059 0.016 0.0142
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0152 0.0581 0.0918
Brugia malayi hypoxia-induced factor 1 0.0182 0.0718 0.07
Onchocerca volvulus 0.0059 0.016 0.0465
Leishmania major DNA polymerase eta, putative 0.0044 0.0094 0.1007
Brugia malayi MH2 domain containing protein 0.0152 0.0581 0.0563
Trypanosoma brucei PAB1-binding protein , putative 0.0185 0.0734 0.7624
Schistosoma mansoni smad 0.0068 0.02 0.0274
Loa Loa (eye worm) hypothetical protein 0.0068 0.02 0.0182
Schistosoma mansoni smad1 5 8 and 0.0152 0.0581 0.0849
Schistosoma mansoni kinase 0.0052 0.0126 0.0162
Giardia lamblia Kinase, PLK 0.0101 0.0352 0.5
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.0159 0.0212
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0059 0.016 0.0214
Onchocerca volvulus 0.0165 0.0641 0.3621
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0229 0.0933 0.1494
Trypanosoma cruzi polo-like protein kinase, putative 0.0101 0.0352 0.3539
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0059 0.016 0.0232
Mycobacterium ulcerans glutaminase 0.0315 0.1323 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0059 0.016 0.1088
Loa Loa (eye worm) latrophilin receptor protein 2 0.0688 0.3016 0.3003
Onchocerca volvulus 0.0059 0.016 0.0465
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0101 0.0352 0.0545
Loa Loa (eye worm) hypothetical protein 0.0059 0.016 0.0142
Loa Loa (eye worm) hypothetical protein 0.1486 0.6641 0.6635
Echinococcus granulosus Smad4 0.0152 0.0581 0.0918
Brugia malayi G-protein alpha subunit 0.0059 0.016 0.0142
Loa Loa (eye worm) MH2 domain-containing protein 0.0068 0.02 0.0182
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0059 0.016 0.0142
Loa Loa (eye worm) isocitrate dehydrogenase 0.0229 0.0933 0.0916
Brugia malayi RNA recognition motif domain containing protein 0.066 0.2887 0.2874
Leishmania major isocitrate dehydrogenase, putative 0.0028 0.0018 0.0198
Schistosoma mansoni smad1 5 8 and 0.0152 0.0581 0.0849
Echinococcus granulosus single minded 2 0.0043 0.0089 0.0116
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0229 0.0933 1
Loa Loa (eye worm) RNA binding protein 0.066 0.2887 0.2874
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.0718 0.07
Brugia malayi hypothetical protein 0.0197 0.0787 0.077
Brugia malayi MH1 domain containing protein 0.0152 0.0581 0.0563
Echinococcus granulosus TGF beta signal transducer SmadC 0.0152 0.0581 0.0918
Loa Loa (eye worm) hypothetical protein 0.2174 0.9765 0.9764
Brugia malayi RNA binding protein 0.066 0.2887 0.2874
Trichomonas vaginalis CAMK family protein kinase 0.005 0.012 0.0777
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1376 0.614 0.9243
Loa Loa (eye worm) G protein alpha subunit 3 0.0059 0.016 0.0142
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0083 0.027 0.041
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.1376 0.614 0.6133
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0059 0.016 0.1088
Brugia malayi MH2 domain containing protein 0.0152 0.0581 0.0563
Trypanosoma cruzi PAB1-binding protein , putative 0.0185 0.0734 0.7783
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0101 0.0352 0.3774
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0688 0.3016 0.4897
Schistosoma mansoni hypothetical protein 0.1486 0.6641 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0229 0.0933 0.1494
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0059 0.016 0.0142
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0059 0.016 0.1088
Brugia malayi isocitrate dehydrogenase 0.0229 0.0933 0.0916
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0229 0.0933 0.1494
Schistosoma mansoni tar DNA-binding protein 0.066 0.2887 0.4331
Schistosoma mansoni hypothetical protein 0.0688 0.3016 0.4526
Loa Loa (eye worm) hypothetical protein 0.0688 0.3016 0.3003
Loa Loa (eye worm) hypothetical protein 0.0059 0.016 0.0142
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0059 0.016 0.0232
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0352 0.2557
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0379 0.1614 1
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0059 0.016 0.0232
Schistosoma mansoni DNA polymerase eta 0.0044 0.0094 0.0114
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0028 0.0018 0.5
Brugia malayi glutaminase DH11.1 0.0315 0.1323 0.1307
Onchocerca volvulus 0.0059 0.016 0.0465
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0083 0.027 0.041
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0059 0.016 0.0214
Schistosoma mansoni Smad4 0.0152 0.0581 0.0849
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1376 0.614 0.9243
Echinococcus granulosus mothers against decapentaplegic 6 0.0068 0.02 0.0296
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0059 0.016 0.1088
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0059 0.016 0.0142
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0229 0.0933 0.1381
Brugia malayi MH2 domain containing protein 0.0068 0.02 0.0182
Brugia malayi N-terminal motif family protein 0.0379 0.1614 0.1598
Brugia malayi hypothetical protein 0.0185 0.0734 0.0717
Schistosoma mansoni smad 0.0152 0.0581 0.0849
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1376 0.614 1
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0059 0.016 0.0214
Echinococcus multilocularis expressed protein 0.0059 0.016 0.0232
Brugia malayi latrophilin 2 splice variant baaae 0.1486 0.6641 0.6635
Schistosoma mansoni hypothetical protein 0.0688 0.3016 0.4526
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0229 0.0933 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.016 0.0142
Echinococcus granulosus mothers against decapentaplegic 2 0.0068 0.02 0.0296
Echinococcus multilocularis Smad4 0.0152 0.0581 0.0918
Loa Loa (eye worm) glutaminase 2 0.0315 0.1323 0.1307
Loa Loa (eye worm) hypothetical protein 0.0059 0.016 0.0142
Echinococcus granulosus expressed protein 0.0059 0.016 0.0232
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0094 0.0076
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0229 0.0933 1
Loa Loa (eye worm) transcription factor SMAD2 0.2226 1 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 12.58925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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