Detailed information for compound 1645010

Basic information

Technical information
  • TDR Targets ID: 1645010
  • Name: ethyl 2-[[5-[(4-chlorophenoxy)methyl]-4-pheny l-1,2,4-triazol-3-yl]sulfanyl]propanoate
  • MW: 417.909 | Formula: C20H20ClN3O3S
  • H donors: 0 H acceptors: 3 LogP: 4.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(Sc1nnc(n1c1ccccc1)COc1ccc(cc1)Cl)C
  • InChi: 1S/C20H20ClN3O3S/c1-3-26-19(25)14(2)28-20-23-22-18(24(20)16-7-5-4-6-8-16)13-27-17-11-9-15(21)10-12-17/h4-12,14H,3,13H2,1-2H3
  • InChiKey: CYRGUIBVDJAYKQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester
  • 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester
  • AIDS-140065
  • AIDS140065
  • Ethyl 2-((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate
  • NSC650837
  • NCI60_017752

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.3665 1 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1229 0.329 0.3148
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0236 0.0556 0.055
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0236 0.0556 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.0457 0.1163 0.1163
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0236 0.0556 0.0356
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0236 0.0556 0.0541
Trichomonas vaginalis conserved hypothetical protein 0.0536 0.1381 0.1381
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1229 0.329 0.3286
Entamoeba histolytica hypothetical protein 0.0693 0.1814 0.1641
Mycobacterium leprae conserved hypothetical protein 0.0236 0.0556 0.5
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1522 0.4098 0.3973
Leishmania major hypothetical protein, conserved 0.0236 0.0556 0.0356
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.3665 1 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0236 0.0556 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0236 0.0556 0.055
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0236 0.0556 0.0356
Entamoeba histolytica hypothetical protein 0.0236 0.0556 0.0356
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0693 0.1814 0.1809
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0236 0.0556 0.055
Trichomonas vaginalis PIKK family atypical protein kinase 0.1229 0.329 0.329
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0693 0.1814 0.1641
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1229 0.329 0.3286
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0236 0.0556 0.0356
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0236 0.0556 0.0556
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0236 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.2915 0.7934 0.7934
Trichomonas vaginalis PIKK family atypical protein kinase 0.1979 0.5356 0.5356
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0236 0.0556 0.0556
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.011 0.0208 0.0201
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0236 0.0556 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.1976 0.5348 0.5348
Trichomonas vaginalis PIKK family atypical protein kinase 0.3665 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0236 0.0556 0.0356
Trichomonas vaginalis fk506-binding protein, putative 0.011 0.0208 0.0208
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.011 0.0208 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0236 0.0556 0.055
Loa Loa (eye worm) phosphatidylinositol 3 0.0236 0.0556 0.055
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.011 0.0208 0.0201
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0236 0.0556 0.0556
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0236 0.0556 0.055
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0693 0.1814 0.1641
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0236 0.0556 0.0556
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0236 0.0556 0.055
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.011 0.0208 0.0201
Plasmodium vivax hypothetical protein 0.0236 0.0556 1
Entamoeba histolytica protein kinase rad3, putative 0.0693 0.1814 0.1641
Trichomonas vaginalis PIKK family atypical protein kinase 0.2726 0.7413 0.7413
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0236 0.0556 0.0356
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0236 0.0556 0.0541
Trichomonas vaginalis PIKK family atypical protein kinase 0.2726 0.7413 0.7413
Trichomonas vaginalis PIKK family atypical protein kinase 0.2458 0.6676 0.6676
Trichomonas vaginalis PIKK family atypical protein kinase 0.2726 0.7413 0.7413
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0236 0.0556 0.055
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.011 0.0208 0.0192
Toxoplasma gondii FATC domain-containing protein 0.0693 0.1814 0.1835
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0536 0.1381 0.1375
Trypanosoma brucei target of rapamycin kinase 3, putative 0.2918 0.7943 0.7899
Schistosoma mansoni immunophilin 0.0095 0.0166 0.015
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0236 0.0556 0.0356
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0236 0.0556 0.055
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0236 0.0556 0.055
Leishmania major phosphatidylinositol kinase related protein, putative 0.0236 0.0556 0.0356
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0693 0.1814 0.1809
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.3665 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0772 0.2032 0.2032
Loa Loa (eye worm) FKBP5 protein 0.011 0.0208 0.0201
Schistosoma mansoni hypothetical protein 0.0536 0.1381 0.1367
Giardia lamblia Phosphatidylinositol 4-kinase 0.0236 0.0556 0.0356
Giardia lamblia GTOR 0.3665 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.3665 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0236 0.0556 0.0556
Onchocerca volvulus 0.0236 0.0556 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0236 0.0556 0.0556
Leishmania major phosphatidylinositol kinase, putative 0.0236 0.0556 0.0356
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0236 0.0556 0.055
Schistosoma mansoni immunophilin 0.011 0.0208 0.0192
Loa Loa (eye worm) phosphatidylinositol kinase 0.0236 0.0556 0.055
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0236 0.0556 0.055
Echinococcus granulosus serine protein kinase ATM 0.0693 0.1814 0.1809
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0236 0.0556 0.0356
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0457 0.1163 0.0975
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.2918 0.7943 0.7899
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.3665 1 1
Loa Loa (eye worm) hypothetical protein 0.0772 0.2032 0.2027
Loa Loa (eye worm) hypothetical protein 0.0095 0.0166 0.0159
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0236 0.0556 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.2726 0.7413 0.7413
Trichomonas vaginalis PIKK family atypical protein kinase 0.2726 0.7413 0.7413
Trichomonas vaginalis PIKK family atypical protein kinase 0.219 0.5937 0.5937
Leishmania major hypothetical protein, unknown function 0.0236 0.0556 0.0356
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0236 0.0556 0.0541
Trichomonas vaginalis PIKK family atypical protein kinase 0.1976 0.5348 0.5348
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0236 0.0556 0.055
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0236 0.0556 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.3665 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1229 0.329 0.3148
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0236 0.0556 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.0693 0.1814 0.1801
Toxoplasma gondii target of rapamycin (TOR), putative 0.2726 0.7413 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0236 0.0556 0.0356
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0236 0.0556 0.0356
Plasmodium vivax hypothetical protein, conserved 0.0236 0.0556 1
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0236 0.0556 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.1229 0.329 0.3148
Entamoeba histolytica hypothetical protein 0.0236 0.0556 0.0356
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0693 0.1814 0.1641
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1229 0.329 0.3148
Loa Loa (eye worm) phosphatidylinositol 3 0.3665 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0693 0.1814 0.1801
Trichomonas vaginalis PIKK family atypical protein kinase 0.2915 0.7934 0.7934
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0236 0.0556 0.0356
Loa Loa (eye worm) hypothetical protein 0.0536 0.1381 0.1375
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1229 0.329 0.3279
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0236 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.1229 0.329 0.329
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0236 0.0556 0.0356
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0236 0.0556 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.011 0.0208 0.0208
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.3665 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0772 0.2032 0.2153
Mycobacterium tuberculosis Conserved hypothetical protein 0.0236 0.0556 0.5
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0236 0.0556 1
Loa Loa (eye worm) hypothetical protein 0.0236 0.0556 0.055
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.011 0.0208 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0693 0.1814 0.1814
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0236 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.0236 0.0556 0.0556
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.3665 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1229 0.329 0.329
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.011 0.0208 0.0201
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1229 0.329 0.3148
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1229 0.329 0.3286
Trichomonas vaginalis PIKK family atypical protein kinase 0.219 0.5937 0.5937
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.011 0.0208 0.0208
Trichomonas vaginalis PIKK family atypical protein kinase 0.1976 0.5348 0.5348
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0236 0.0556 0.055
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0236 0.0556 0.0556
Loa Loa (eye worm) phosphatidylinositol 3 0.0236 0.0556 0.055
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0236 0.0556 0.0541
Trichomonas vaginalis PIKK family atypical protein kinase 0.2168 0.5877 0.5877
Entamoeba histolytica hypothetical protein 0.0236 0.0556 0.0356
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.011 0.0208 0.0201
Trypanosoma cruzi target of rapamycin kinase 3 0.2918 0.7943 0.7899
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0236 0.0556 0.055
Trichomonas vaginalis PIKK family atypical protein kinase 0.219 0.5937 0.5937
Brugia malayi FAT domain containing protein 0.0536 0.1381 0.1375
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0236 0.0556 0.0541
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0236 0.0556 0.0356
Trichomonas vaginalis conserved hypothetical protein 0.0457 0.1163 0.1163
Loa Loa (eye worm) hypothetical protein 0.0236 0.0556 0.055
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0236 0.0556 0.0556
Echinococcus multilocularis serine protein kinase ATM 0.0693 0.1814 0.1809
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0236 0.0556 0.0356
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0236 0.0556 0.055
Trichomonas vaginalis PIKK family atypical protein kinase 0.2915 0.7934 0.7934
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0236 0.0556 0.0356
Loa Loa (eye worm) hypothetical protein 0.0693 0.1814 0.1809
Entamoeba histolytica hypothetical protein 0.0236 0.0556 0.0356
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0236 0.0556 0.0356
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.3665 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0095 0.0166 0.0159
Schistosoma mansoni immunophilin 0.011 0.0208 0.0192
Trichomonas vaginalis PIKK family atypical protein kinase 0.2726 0.7413 0.7413
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0236 0.0556 0.055
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0693 0.1814 0.1641
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0236 0.0556 0.0541
Trichomonas vaginalis PIKK family atypical protein kinase 0.1979 0.5356 0.5356
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0236 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.2726 0.7413 0.7413
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0236 0.0556 0.055
Trichomonas vaginalis PIKK family atypical protein kinase 0.1979 0.5356 0.5356
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0236 0.0556 0.0556
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.3665 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0236 0.0556 0.0356
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0236 0.0556 0.055
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0236 0.0556 0.0541
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0693 0.1814 0.1809
Trichomonas vaginalis PIKK family atypical protein kinase 0.0693 0.1814 0.1814
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0236 0.0556 0.0356
Echinococcus multilocularis fk506 binding protein 0.011 0.0208 0.0201
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0536 0.1381 0.1375
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0236 0.0556 0.055
Trichomonas vaginalis PIKK family atypical protein kinase 0.2915 0.7934 0.7934
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0236 0.0556 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1979 0.5356 0.5356
Loa Loa (eye worm) phosphatidylinositol 3 0.1229 0.329 0.3286
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0236 0.0556 0.055
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0693 0.1814 0.1809
Trichomonas vaginalis PIKK family atypical protein kinase 0.3129 0.8524 0.8524
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0236 0.0556 0.0356
Schistosoma mansoni hypothetical protein 0.0236 0.0556 0.0541
Giardia lamblia Hypothetical protein 0.0236 0.0556 0.0356
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.3665 1 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0236 0.0556 0.055
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0236 0.0556 0.055
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1229 0.329 0.3148
Echinococcus multilocularis Zinc finger, PHD finger 0.0236 0.0556 0.055
Loa Loa (eye worm) phosphatidylinositol 3 0.0236 0.0556 0.055
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0236 0.0556 0.0356
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.1733 0.4679 0.4566
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0236 0.0556 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.2915 0.7934 0.7934
Leishmania major phosphatidylinositol 4-kinase, putative 0.0236 0.0556 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.0693 0.1814 0.1814
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.3665 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1229 0.329 0.329
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0236 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.3665 1 1
Onchocerca volvulus 0.0236 0.0556 0.5
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0095 0.0166 0.0159
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0236 0.0556 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0983 0.2613 0.2613
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0236 0.0556 0.055
Trichomonas vaginalis PIKK family atypical protein kinase 0.2168 0.5877 0.5877
Trichomonas vaginalis PIKK family atypical protein kinase 0.1229 0.329 0.329
Trichomonas vaginalis immunophilin, putative 0.011 0.0208 0.0208
Echinococcus multilocularis 0.0236 0.0556 0.055
Trichomonas vaginalis PIKK family atypical protein kinase 0.2379 0.6458 0.6458
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0236 0.0556 0.055
Loa Loa (eye worm) hypothetical protein 0.0747 0.1962 0.1957
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0236 0.0556 0.0356
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.011 0.0208 0.0201
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0236 0.0556 0.0356
Loa Loa (eye worm) hypothetical protein 0.0457 0.1163 0.1157

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.833 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.757 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.748 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.732 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.696 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.682 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.67 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.