Detailed information for compound 1418514

Basic information

Technical information
  • TDR Targets ID: 1418514
  • Name: ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H- quinoline-3-carboxylate
  • MW: 309.359 | Formula: C19H19NO3
  • H donors: 0 H acceptors: 3 LogP: 3.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(C)nc2c(c1c1ccccc1)C(=O)CCC2
  • InChi: 1S/C19H19NO3/c1-3-23-19(22)16-12(2)20-14-10-7-11-15(21)18(14)17(16)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3
  • InChiKey: NGSDYUOEXXLGHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid ethyl ester
  • 5-keto-2-methyl-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid ethyl ester
  • Oprea1_648268
  • MLS000326184
  • SMR000170356
  • ethyl 2-methyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-3-quinolinecarboxylate
  • 4M-717
  • ZINC00169171

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 cytochrome P450, family 2, subfamily C, polypeptide 9 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) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
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
Brugia malayi MH2 domain containing protein 0.0045 0.0177 0.0177
Schistosoma mansoni smad1 5 8 and 0.01 0.0559 0.0965
Brugia malayi hypothetical protein 0.0079 0.0411 0.0411
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase type II beta, putative 0.0041 0.0148 0.0335
Echinococcus granulosus Smad4 0.01 0.0559 0.1409
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0447 0.2944 0.7423
Schistosoma mansoni kinase 0.0303 0.1951 0.3367
Entamoeba histolytica phosphoinositide kinase, putative 0.0041 0.0148 0.0374
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0447 0.2944 0.7423
Loa Loa (eye worm) hypothetical protein 0.0097 0.0536 0.0536
Loa Loa (eye worm) hypothetical protein 0.0097 0.0536 0.0536
Brugia malayi isocitrate dehydrogenase 0.01 0.056 0.056
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0596 0.3966 0.8922
Echinococcus multilocularis phosphatidylinositol phosphate 5 kinase type III 0.0041 0.0148 0.0374
Echinococcus granulosus mothers against decapentaplegic 5 0.01 0.0559 0.1409
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0041 0.0148 0.0335
Brugia malayi latrophilin 2 splice variant baaae 0.0353 0.2295 0.2295
Treponema pallidum DNA ligase (lig) 0.0019 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0163 0.0992 0.2501
Schistosoma mansoni tar DNA-binding protein 0.0521 0.3451 0.5956
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0045 0.0177 0.0447
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.01 0.056 0.0962
Brugia malayi MH1 domain containing protein 0.01 0.0559 0.0559
Loa Loa (eye worm) hypothetical protein 0.0079 0.0411 0.0411
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.01 0.056 1
Brugia malayi MH1 domain containing protein 0.01 0.0559 0.0559
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0516 0.3418 0.3418
Loa Loa (eye worm) MH1 domain-containing protein 0.01 0.0559 0.0559
Schistosoma mansoni phosphatidylinositol-4-phosphate-5-kinaseputativ e 0.0041 0.0148 0.0256
Echinococcus multilocularis tar DNA binding protein 0.0521 0.3451 0.8701
Entamoeba histolytica serine/threonine protein kinase, putative 0.0596 0.3966 1
Loa Loa (eye worm) pip kinase 1 0.0041 0.0148 0.0148
Loa Loa (eye worm) MH2 domain-containing protein 0.1473 1 1
Brugia malayi Smad1 0.01 0.0559 0.0559
Schistosoma mansoni smad 0.01 0.0559 0.0965
Trypanosoma brucei phosphatidylinositol-4-phosphate 5-kinase, putative 0.0041 0.0148 0.0335
Trichomonas vaginalis CAMK family protein kinase 0.0596 0.3966 0.6845
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0076 0.0394 0.0889
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.01 0.056 0.1265
Trypanosoma cruzi polo-like protein kinase, putative 0.0596 0.3966 0.8958
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0041 0.0148 0.0335
Brugia malayi TAR-binding protein 0.0521 0.3451 0.3451
Brugia malayi MH2 domain containing protein 0.01 0.0559 0.0559
Loa Loa (eye worm) Smad1 0.01 0.0559 0.0559
Brugia malayi Pip kinase protein 1 0.0041 0.0148 0.0148
Loa Loa (eye worm) MH2 domain-containing protein 0.0045 0.0177 0.0177
Echinococcus multilocularis Smad4 0.01 0.0559 0.1409
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.01 0.056 0.1412
Schistosoma mansoni TGF-beta signal transducer Smad2 0.01 0.0559 0.0965
Schistosoma mansoni tar DNA-binding protein 0.0521 0.3451 0.5956
Echinococcus granulosus phosphatidylinositol phosphate 5 kinase type III 0.0041 0.0148 0.0374
Echinococcus granulosus citrate lyase subunit beta protein 0.0076 0.0394 0.0993
Loa Loa (eye worm) hypothetical protein 0.0055 0.025 0.025
Echinococcus granulosus Phosphatidylinositol 4 phosphate 5 kinase type 1 0.0041 0.0148 0.0374
Trypanosoma brucei polo-like protein kinase 0.0596 0.3966 0.8958
Trypanosoma brucei hypothetical protein, conserved 0.0663 0.4427 1
Loa Loa (eye worm) nuclear factor I 0.0055 0.025 0.025
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.01 0.056 0.1412
Trichomonas vaginalis phosphatidylinositol-4-phosphate 5-kinase type II, putative 0.0041 0.0148 0.0256
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.107 0.2698
Loa Loa (eye worm) FYVE zinc finger family protein 0.0041 0.0148 0.0148
Trichomonas vaginalis CAMK family protein kinase 0.0596 0.3966 0.6845
Trichomonas vaginalis CAMK family protein kinase 0.0596 0.3966 0.6845
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0076 0.0394 0.0889
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0035 0.0112 0.0282
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0506 0.3352 0.8452
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-Kinase 0.0041 0.0148 0.2649
Brugia malayi Pip kinase protein 2 0.0506 0.3352 0.3352
Trichomonas vaginalis CAMK family protein kinase 0.0295 0.1897 0.3274
Schistosoma mansoni glutaminase 0.0861 0.5794 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0163 0.0992 0.0992
Toxoplasma gondii LsmAD domain-containing protein 0.0079 0.0411 0.7333
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type I 0.0041 0.0148 0.0256
Trypanosoma brucei phosphatidylinositol (3,5) kinase, putative 0.0041 0.0148 0.0335
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0076 0.0394 0.0573
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0596 0.3966 0.3966
Trichomonas vaginalis CAMK family protein kinase 0.0596 0.3966 0.6845
Schistosoma mansoni Smad4 0.0045 0.0177 0.0306
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0041 0.0148 0.0335
Echinococcus granulosus mothers against decapentaplegic 6 0.0045 0.0177 0.0447
Trypanosoma cruzi phosphatidylinositol (3,5) kinase, putative 0.0041 0.0148 0.0335
Schistosoma mansoni tar DNA-binding protein 0.0521 0.3451 0.5956
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0041 0.0148 0.0256
Loa Loa (eye worm) hypothetical protein 0.0353 0.2295 0.2295
Trypanosoma brucei isocitrate dehydrogenase, putative 0.01 0.056 0.1265
Loa Loa (eye worm) MH1 domain-containing protein 0.0045 0.0177 0.0177
Brugia malayi glutaminase DH11.1 0.0861 0.5794 0.5794
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0076 0.0394 0.0679
Entamoeba histolytica hypothetical protein 0.0447 0.2944 0.7423
Schistosoma mansoni Smad4 0.0045 0.0177 0.0306
Brugia malayi mothers against decapentaplegic homolog 3 0.0045 0.0177 0.0177
Echinococcus multilocularis isocitrate dehydrogenase 0.01 0.056 0.1412
Loa Loa (eye worm) isocitrate dehydrogenase 0.01 0.056 0.056
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0506 0.3352 0.8452
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0035 0.0112 0.0282
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0163 0.0992 0.2501
Echinococcus multilocularis mothers against decapentaplegic 5 0.01 0.0559 0.1409
Chlamydia trachomatis DNA ligase 0.0019 0 0.5
Giardia lamblia Phosphatidylinositol-4-phosphate 5-kinase, putative 0.0041 0.0148 0.0374
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0521 0.3451 0.3451
Mycobacterium ulcerans glutaminase 0.0861 0.5794 1
Schistosoma mansoni serine/threonine protein kinase 0.0596 0.3966 0.6845
Schistosoma mansoni tar DNA-binding protein 0.0521 0.3451 0.5956
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.01 0.056 1
Trichomonas vaginalis phosphatidylinositol-4-phosphate 5-kinase type II, putative 0.0041 0.0148 0.0256
Brugia malayi RNA binding protein 0.0521 0.3451 0.3451
Brugia malayi MH1 domain containing protein 0.0055 0.025 0.025
Trypanosoma cruzi hypothetical protein, conserved 0.0663 0.4427 1
Brugia malayi MH2 domain containing protein 0.01 0.0559 0.0559
Trypanosoma cruzi PAB1-binding protein , putative 0.0079 0.0411 0.0927
Schistosoma mansoni smad1 5 8 and 0.01 0.0559 0.0965
Toxoplasma gondii isocitrate dehydrogenase 0.01 0.056 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0596 0.3966 1
Entamoeba histolytica hypothetical protein 0.0447 0.2944 0.7423
Schistosoma mansoni hypothetical protein 0.0163 0.0992 0.1712
Echinococcus granulosus GPCR family 2 0.0163 0.0992 0.2501
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.01 0.056 0.1265
Loa Loa (eye worm) hypothetical protein 0.0458 0.3018 0.3018
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0506 0.3352 0.5786
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-Kinase 0.0041 0.0148 0.2649
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0076 0.0394 0.0679
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.01 0.056 0.0966
Mycobacterium ulcerans hypothetical protein 0.0076 0.0394 0.0679
Onchocerca volvulus Serine\/threonine kinase homolog 0.0596 0.3966 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.01 0.056 0.1412
Trichomonas vaginalis glutaminase, putative 0.0861 0.5794 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.0411 0.7333
Trypanosoma brucei phosphatidylinositol phosphate kinase alpha 0.0041 0.0148 0.0335
Trypanosoma cruzi phosphatidylinositol 4-phosphate 5-kinase alpha, putative 0.0041 0.0148 0.0335
Brugia malayi RNA recognition motif domain containing protein 0.0521 0.3451 0.3451
Schistosoma mansoni hypothetical protein 0.0447 0.2944 0.5081
Echinococcus granulosus TGF beta signal transducer SmadC 0.01 0.0559 0.1409
Schistosoma mansoni transcription factor LCR-F1 0.0447 0.2944 0.5081
Echinococcus granulosus tar DNA binding protein 0.0521 0.3451 0.8701
Echinococcus multilocularis smad 0.01 0.0559 0.1409
Loa Loa (eye worm) hypothetical protein 0.0175 0.107 0.107
Schistosoma mansoni hypothetical protein 0.0163 0.0992 0.1712
Loa Loa (eye worm) hypothetical protein 0.0163 0.0992 0.0992
Leishmania major hypothetical protein, conserved 0.0663 0.4427 1
Schistosoma mansoni hypothetical protein 0.0035 0.0112 0.0193
Loa Loa (eye worm) glutaminase 0.0861 0.5794 0.5794
Loa Loa (eye worm) hypothetical protein 0.0516 0.3418 0.3418
Schistosoma mansoni tar DNA-binding protein 0.0521 0.3451 0.5956
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0019 0 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.01 0.056 0.1265
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0163 0.0992 0.2501
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.01 0.056 1
Plasmodium vivax ataxin-2 like protein, putative 0.0079 0.0411 0.7333
Loa Loa (eye worm) TAR-binding protein 0.0521 0.3451 0.3451
Brugia malayi hypothetical protein 0.0458 0.3018 0.3018
Echinococcus multilocularis mothers against decapentaplegic 2 0.0045 0.0177 0.0447
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-kinase 0.0041 0.0148 0.2649
Loa Loa (eye worm) pip kinase 2 0.0506 0.3352 0.3352
Brugia malayi Latrophilin receptor protein 2 0.0163 0.0992 0.0992
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.01 0.056 0.1412
Echinococcus multilocularis citrate lyase subunit beta protein 0.0076 0.0394 0.0993
Brugia malayi N-terminal motif family protein 0.0175 0.107 0.107
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0086 0.0086
Echinococcus multilocularis TGF beta signal transducer SmadC 0.01 0.0559 0.1409
Trypanosoma cruzi PAB1-binding protein , putative 0.0079 0.0411 0.0927
Trypanosoma brucei PAB1-binding protein , putative 0.0079 0.0411 0.0927
Trypanosoma brucei phosphatidylinositol-4-phosphate 5-kinase, putative 0.0041 0.0148 0.0335
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.01 0.056 0.1412
Loa Loa (eye worm) hypothetical protein 0.0045 0.0177 0.0177
Schistosoma mansoni smad1 5 8 and 0.01 0.0559 0.0965
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0163 0.0992 0.0992
Echinococcus granulosus mothers against decapentaplegic 2 0.0045 0.0177 0.0447
Entamoeba histolytica hypothetical protein 0.0447 0.2944 0.7423
Brugia malayi hypothetical protein 0.0051 0.0218 0.0218
Brugia malayi Isocitrate dehydrogenase 0.01 0.056 0.056
Schistosoma mansoni eyes absent homolog 0.0097 0.0536 0.0925
Trypanosoma cruzi polo-like protein kinase, putative 0.0596 0.3966 0.8958
Loa Loa (eye worm) MH2 domain-containing protein 0.01 0.0559 0.0559
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0041 0.0148 0.0335
Plasmodium falciparum phosphatidylinositol-4-phosphate 5-kinase 0.0041 0.0148 0.2649
Leishmania major hypothetical protein, conserved 0.0079 0.0411 0.0613
Loa Loa (eye worm) FYVE finger-containing phosphoinositide kinase 0.0041 0.0148 0.0148
Brugia malayi Calcitonin receptor-like protein seb-1 0.0516 0.3418 0.3418
Brugia malayi hypothetical protein 0.0447 0.2944 0.2944
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.0411 0.7333
Schistosoma mansoni hypothetical protein 0.0163 0.0992 0.1712
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0163 0.0992 0.2501
Schistosoma mansoni smad 0.0045 0.0177 0.0306
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0596 0.3966 1
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0148 0.2649
Trichomonas vaginalis CAMK family protein kinase 0.0596 0.3966 0.6845
Loa Loa (eye worm) glutaminase 2 0.0861 0.5794 0.5794
Onchocerca volvulus 0.0506 0.3352 0.8452
Brugia malayi MH1 domain containing protein 0.0055 0.025 0.025
Giardia lamblia Hypothetical protein 0.0041 0.0148 0.0374
Loa Loa (eye worm) hypothetical protein 0.0506 0.3352 0.3352
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0163 0.0992 0.2501
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0076 0.0394 0.0679
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0041 0.0148 0.0335
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0019 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.1473 1 1
Onchocerca volvulus 0.0458 0.3018 0.7611
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0076 0.0394 0.0679
Brugia malayi FYVE finger-containing phosphoinositide kinase, putative 0.0041 0.0148 0.0148
Brugia malayi serine/threonine-protein kinase plk-2 0.0596 0.3966 0.3966
Brugia malayi hypothetical protein 0.0097 0.0536 0.0536
Echinococcus granulosus smad 0.01 0.0559 0.1409
Trichomonas vaginalis CAMK family protein kinase 0.0596 0.3966 0.6845
Schistosoma mansoni hypothetical protein 0.0163 0.0992 0.1712
Toxoplasma gondii isocitrate dehydrogenase 0.01 0.056 1
Trichomonas vaginalis CAMK family protein kinase 0.0295 0.1897 0.3274
Trypanosoma cruzi hypothetical protein, conserved 0.0663 0.4427 1
Echinococcus multilocularis Phosphatidylinositol 4 phosphate 5 kinase type 1 0.0041 0.0148 0.0374
Schistosoma mansoni hypothetical protein 0.0353 0.2295 0.3962
Entamoeba histolytica phosphatidylinositol-4-phosphate 5-kinase, putative 0.0041 0.0148 0.0374
Loa Loa (eye worm) RNA binding protein 0.0521 0.3451 0.3451
Entamoeba histolytica hypothetical protein 0.0447 0.2944 0.7423
Trichomonas vaginalis CAMK family protein kinase 0.0596 0.3966 0.6845
Giardia lamblia Kinase, PLK 0.0596 0.3966 1
Echinococcus multilocularis mothers against decapentaplegic 6 0.0045 0.0177 0.0447
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0041 0.0148 0.0256
Plasmodium vivax phosphatidylinositol-4-phosphate 5-kinase, putative 0.0041 0.0148 0.2649
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0516 0.3418 0.3418
Schistosoma mansoni Smad4 0.01 0.0559 0.0965
Mycobacterium ulcerans hypothetical protein 0.0076 0.0394 0.0679
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0506 0.3352 0.5786
Brugia malayi Cytochrome P450 family protein 0.0032 0.0086 0.0086

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-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.281838293 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
AC50 (functional) = 17.7827941 uM 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
Potency (functional) 0.0029 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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