Detailed information for compound 1443920

Basic information

Technical information
  • TDR Targets ID: 1443920
  • Name: ethyl 4-[(6-methylpyridin-2-yl)carbamothioyla mino]benzoate
  • MW: 315.39 | Formula: C16H17N3O2S
  • H donors: 1 H acceptors: 2 LogP: 3.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)NC(=Nc1cccc(n1)C)S
  • InChi: 1S/C16H17N3O2S/c1-3-21-15(20)12-7-9-13(10-8-12)18-16(22)19-14-6-4-5-11(2)17-14/h4-10H,3H2,1-2H3,(H2,17,18,19,22)
  • InChiKey: BWYMAOHZBZWWMR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 4-[(6-methyl-2-pyridyl)carbamothioylamino]benzoate
  • 4-[[[(6-methyl-2-pyridyl)amino]-thioxomethyl]amino]benzoic acid ethyl ester
  • 4-[(6-methyl-2-pyridyl)thiocarbamoylamino]benzoic acid ethyl ester
  • SMR000206238
  • ethyl 4-({[(6-methylpyridin-2-yl)amino]carbonothioyl}amino)benzoate
  • MLS000583052

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references
Mus musculus RAR-related orphan receptor gamma 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) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi target of rapamycin kinase 3 0.0799 0.788 0.7822
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0228 0.196 0.1937
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0065 0.027 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0673 0.6576 0.6576
Trichomonas vaginalis PIKK family atypical protein kinase 0.0746 0.7335 0.7335
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0065 0.027 0.027
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0228 0.196 0.1737
Toxoplasma gondii target of rapamycin (TOR), putative 0.0746 0.7335 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0065 0.027 0.027
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0065 0.027 0.027
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0065 0.027 0.0203
Entamoeba histolytica hypothetical protein 0.019 0.1566 0.1332
Mycobacterium leprae conserved hypothetical protein 0.0065 0.027 0.5
Echinococcus granulosus serine:threonine protein kinase SMG1 0.019 0.1566 0.1542
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1003 1 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1003 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0336 0.3087 0.2895
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1003 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0065 0.027 0.027
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0228 0.196 0.1905
Loa Loa (eye worm) phosphatidylinositol 3 0.0065 0.027 0.0242
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0196 0.1635 0.1611
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0065 0.027 0.0242
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0228 0.196 0.1937
Trichomonas vaginalis PIKK family atypical protein kinase 0.1003 1 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0799 0.788 0.7822
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0336 0.3087 0.2895
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0228 0.196 0.1937
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0065 0.027 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.027 0.027
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0228 0.196 0.196
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0196 0.1635 0.1611
Echinococcus multilocularis serine protein kinase ATM 0.019 0.1566 0.1542
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.027 0.0242
Loa Loa (eye worm) CYP4Cod1 0.0069 0.0317 0.029
Echinococcus multilocularis Protein lozenge 0.0067 0.0294 0.0267
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0065 0.027 0.027
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1003 1 1
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0147 0.112 0.1094
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0065 0.027 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0746 0.7335 0.7335
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0228 0.196 0.1737
Echinococcus multilocularis Zinc finger, PHD finger 0.0065 0.027 0.0242
Brugia malayi FAT domain containing protein 0.0147 0.112 0.1094
Onchocerca volvulus 0.0535 0.5144 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0599 0.5814 0.5814
Loa Loa (eye worm) phosphatidylinositol kinase 0.0065 0.027 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0746 0.7335 0.7335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0541 0.5207 0.5207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.027 0.027
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0065 0.027 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0746 0.7335 0.7335
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0065 0.027 0.0242
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0228 0.196 0.1737
Trichomonas vaginalis PIKK family atypical protein kinase 0.0336 0.3087 0.3087
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1003 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0065 0.027 0.0242
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0147 0.112 0.1094
Loa Loa (eye worm) phosphatidylinositol 3 0.0065 0.027 0.0242
Loa Loa (eye worm) hypothetical protein 0.0147 0.112 0.1094
Trichomonas vaginalis PIKK family atypical protein kinase 0.1003 1 1
Loa Loa (eye worm) runx1 0.0067 0.0294 0.0267
Loa Loa (eye worm) hypothetical protein 0.0535 0.5144 0.513
Trichomonas vaginalis PIKK family atypical protein kinase 0.019 0.1566 0.1566
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0065 0.027 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0336 0.3087 0.3087
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0228 0.196 0.1737
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0228 0.196 0.1737
Brugia malayi Cytochrome P450 family protein 0.0069 0.0317 0.029
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1003 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0541 0.5207 0.5207
Schistosoma mansoni hypothetical protein 0.0065 0.027 0.0203
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0065 0.027 0.0242
Leishmania major peptidylprolyl isomerase-like protein 0.0228 0.196 0.1737
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0065 0.027 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0798 0.7872 0.7872
Trichomonas vaginalis PIKK family atypical protein kinase 0.0542 0.5215 0.5215
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0065 0.027 0.0242
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0065 0.027 0.0242
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0336 0.3087 0.3067
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0065 0.027 0.027
Echinococcus multilocularis fk506 binding protein 0.0228 0.196 0.1937
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0065 0.027 0.027
Trichomonas vaginalis immunophilin, putative 0.0228 0.196 0.196
Trichomonas vaginalis PIKK family atypical protein kinase 0.0336 0.3087 0.3087
Trypanosoma brucei cytochrome P450, putative 0.0069 0.0317 0.0048
Trichomonas vaginalis PIKK family atypical protein kinase 0.0746 0.7335 0.7335
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0228 0.196 1
Trichomonas vaginalis conserved hypothetical protein 0.0211 0.1791 0.1791
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0125 0.0895 0.0642
Loa Loa (eye worm) FKBP5 protein 0.0228 0.196 0.1937
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.019 0.1566 0.1332
Entamoeba histolytica protein kinase rad3, putative 0.019 0.1566 0.1332
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0065 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0049 0.011 0.0082
Schistosoma mansoni immunophilin 0.0196 0.1635 0.1578
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0336 0.3087 0.2895
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0228 0.196 0.1937
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.027 0.0242
Loa Loa (eye worm) hypothetical protein 0.0182 0.1491 0.1466
Loa Loa (eye worm) cytochrome P450 family protein 0.0069 0.0317 0.029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0798 0.7872 0.7872
Trichomonas vaginalis PIKK family atypical protein kinase 0.0542 0.5215 0.5215
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0228 0.196 0.1737
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0065 0.027 0.027
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0065 0.027 0.027
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0228 0.196 0.1737
Mycobacterium tuberculosis Conserved hypothetical protein 0.0065 0.027 0.5
Trichomonas vaginalis fk506-binding protein, putative 0.0228 0.196 0.196
Trichomonas vaginalis PIKK family atypical protein kinase 0.0542 0.5215 0.5215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0746 0.7335 0.7335
Leishmania major fk506-binding protein 1-like protein 0.0228 0.196 0.1737
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.0895 0.0895
Loa Loa (eye worm) hypothetical protein 0.0065 0.027 0.0242
Loa Loa (eye worm) phosphatidylinositol 3 0.1003 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.019 0.1566 0.1332
Loa Loa (eye worm) hypothetical protein 0.0535 0.5144 0.513
Trypanosoma cruzi cytochrome P450, putative 0.0069 0.0317 0.0048
Trichomonas vaginalis PIKK family atypical protein kinase 0.0798 0.7872 0.7872
Loa Loa (eye worm) phosphatidylinositol 3 0.0065 0.027 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.019 0.1566 0.1566
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0065 0.027 0.0242
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.019 0.1566 0.1542
Giardia lamblia GTOR 0.1003 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0125 0.0895 0.0895
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0336 0.3087 0.3067
Schistosoma mansoni hypothetical protein 0.0147 0.112 0.1059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0857 0.8479 0.8479
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0065 0.027 0.0242
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0065 0.027 0.0242
Leishmania major cytochrome p450-like protein 0.0069 0.0317 0.0048
Trichomonas vaginalis PIKK family atypical protein kinase 0.1003 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0147 0.112 0.112
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0336 0.3087 0.2895
Schistosoma mansoni fkbp-rapamycin associated protein 0.019 0.1566 0.1508
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1003 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0228 0.196 0.1737
Schistosoma mansoni lozenge 0.0067 0.0294 0.0228
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0065 0.027 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0269 0.2389 0.2389
Loa Loa (eye worm) hypothetical protein 0.0211 0.1791 0.1767
Trichomonas vaginalis PIKK family atypical protein kinase 0.0651 0.6351 0.6351
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0228 0.196 0.1737
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0065 0.027 0.0242
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0336 0.3087 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.019 0.1566 0.1566
Leishmania major phosphatidylinositol 3-kinase, putative 0.0336 0.3087 0.2895
Brugia malayi Cytochrome P450 family protein 0.0069 0.0317 0.029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0594 0.5752 0.5752
Loa Loa (eye worm) hypothetical protein 0.0065 0.027 0.0242
Loa Loa (eye worm) cytochrome P450 family protein 0.0069 0.0317 0.029
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.019 0.1566 0.1542
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0065 0.027 0.0203
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0417 0.3919 0.375
Schistosoma mansoni immunophilin 0.0228 0.196 0.1905
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0474 0.4518 0.4366
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1003 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0336 0.3087 0.3087
Loa Loa (eye worm) phosphatidylinositol 3 0.0065 0.027 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0798 0.7872 0.7872
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0228 0.196 0.1737
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0336 0.3087 0.304
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0065 0.027 0.0242
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0228 0.196 1
Brugia malayi hypothetical protein 0.0535 0.5144 0.513
Trichomonas vaginalis PIKK family atypical protein kinase 0.0599 0.5814 0.5814
Trichomonas vaginalis PIKK family atypical protein kinase 0.0336 0.3087 0.3087
Loa Loa (eye worm) phosphatidylinositol 3 0.0336 0.3087 0.3067
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.019 0.1566 0.1332
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0228 0.196 0.196
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1003 1 1
Onchocerca volvulus 0.0182 0.1491 0.2504
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.019 0.1566 0.1542
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.019 0.1566 0.1508
Echinococcus multilocularis 0.0065 0.027 0.0242
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0336 0.3087 0.3067
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.027 0.0242
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1003 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0069 0.0317 0.0048
Schistosoma mansoni immunophilin 0.0228 0.196 0.1905
Trichomonas vaginalis PIKK family atypical protein kinase 0.0599 0.5814 0.5814
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0228 0.196 0.1937
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0065 0.027 0.0242
Loa Loa (eye worm) hypothetical protein 0.019 0.1566 0.1542
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0799 0.788 0.7822
Brugia malayi hypothetical protein 0.0182 0.1491 0.1466
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0065 0.027 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0594 0.5752 0.5752
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.027 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0541 0.5207 0.5207
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.027 0.0242
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0211 0.1791 0.2153
Toxoplasma gondii FATC domain-containing protein 0.019 0.1566 0.1835
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0228 0.196 0.5
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0065 0.027 0.0242
Loa Loa (eye worm) hypothetical protein 0.0204 0.1718 0.1695
Trichomonas vaginalis PIKK family atypical protein kinase 0.0542 0.5215 0.5215
Loa Loa (eye worm) hypothetical protein 0.0125 0.0895 0.0869
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.027 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0746 0.7335 0.7335
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.019 0.1566 0.1332
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1003 1 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0228 0.196 1
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0065 0.027 0.0203
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0065 0.027 0.027
Echinococcus granulosus serine protein kinase ATM 0.019 0.1566 0.1542
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0228 0.196 0.1937
Loa Loa (eye worm) hypothetical protein 0.0196 0.1635 0.1611
Trichomonas vaginalis PIKK family atypical protein kinase 0.0798 0.7872 0.7872
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0065 0.027 0.027
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0065 0.027 0.027

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.3115 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) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (binding) 4.4668 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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
Homo sapiens ChEMBL23
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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