Detailed information for compound 1647143

Basic information

Technical information
  • TDR Targets ID: 1647143
  • Name: diethyl 3-(1-phenylpyrrol-2-yl)-1H-pyrrole-2, 4-dicarboxylate
  • MW: 352.384 | Formula: C20H20N2O4
  • H donors: 1 H acceptors: 2 LogP: 3.54 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1[nH]cc(c1c1cccn1c1ccccc1)C(=O)OCC
  • InChi: 1S/C20H20N2O4/c1-3-25-19(23)15-13-21-18(20(24)26-4-2)17(15)16-11-8-12-22(16)14-9-6-5-7-10-14/h5-13,21H,3-4H2,1-2H3
  • InChiKey: YXQLQAHEIBRCJC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(1-phenyl-2-pyrrolyl)-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
  • 3-(1-phenylpyrrol-2-yl)-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
  • NCI60_033410
  • AIDS-151746
  • AIDS151746
  • NSC693227
  • [2,3'-Bi-1H-pyrrole]-2',4'-dicarboxylic acid, 1-phenyl-, diethyl ester

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
Loa Loa (eye worm) phosphatidylinositol 3 0.5384 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0423 0.0588 0.0588
Loa Loa (eye worm) phosphatidylinositol 3 0.0358 0.0465 0.0457
Leishmania major phosphatidylinositol 3-kinase, putative 0.038 0.0505 0.0498
Trichomonas vaginalis PIKK family atypical protein kinase 0.4016 0.7405 0.7405
Trichomonas vaginalis PIKK family atypical protein kinase 0.2928 0.5341 0.5341
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.068 0.1075 0.1068
Trichomonas vaginalis PIKK family atypical protein kinase 0.1038 0.1755 0.1755
Echinococcus granulosus serine protein kinase ATM 0.1038 0.1755 0.1748
Loa Loa (eye worm) phosphatidylinositol 3 0.0358 0.0465 0.0457
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0358 0.0465 0.9183
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0358 0.0465 0.9183
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.038 0.0505 0.0498
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0423 0.0588 0.058
Trichomonas vaginalis PIKK family atypical protein kinase 0.4292 0.7928 0.7928
Trichomonas vaginalis PIKK family atypical protein kinase 0.2928 0.5341 0.5341
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0798 0.1299 0.1291
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0358 0.0465 0.0457
Echinococcus multilocularis serine protein kinase ATM 0.1038 0.1755 0.1748
Loa Loa (eye worm) phosphatidylinositol 3 0.1848 0.329 0.3285
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.038 0.0505 0.0498
Plasmodium falciparum phosphatidylinositol 3-kinase 0.038 0.0505 1
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0358 0.0465 0.0457
Trichomonas vaginalis PIKK family atypical protein kinase 0.4586 0.8486 0.8486
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.038 0.0505 0.0505
Trichomonas vaginalis PIKK family atypical protein kinase 0.1848 0.329 0.329
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.038 0.0505 0.0498
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.5384 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.049 0.0714 0.0707
Loa Loa (eye worm) phosphatidylinositol kinase 0.0358 0.0465 0.0457
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0565 0.0857 0.0857
Trichomonas vaginalis PIKK family atypical protein kinase 0.4292 0.7928 0.7928
Loa Loa (eye worm) phosphatidylinositol 3 0.0358 0.0465 0.0457
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.038 0.0505 0.0498
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2539 0.4601 0.4597
Entamoeba histolytica protein kinase rad3, putative 0.1038 0.1755 0.1748
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.5384 1 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1848 0.329 0.3285
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0423 0.0588 0.058
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0402 0.0547 0.054
Giardia lamblia GTOR 0.5384 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0358 0.0465 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.3204 0.5864 0.5864
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.038 0.0505 0.0498
Trichomonas vaginalis PIKK family atypical protein kinase 0.1446 0.2529 0.2529
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0498 0.073 0.073
Leishmania major phosphatidylinositol 3-kinase, putative 0.1836 0.3268 0.3263
Schistosoma mansoni voltage-gated potassium channel 0.0132 0.0036 0.0028
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0752 0.1212 0.1205
Trichomonas vaginalis PIKK family atypical protein kinase 0.3494 0.6414 0.6414
Trichomonas vaginalis PIKK family atypical protein kinase 0.068 0.1075 0.1075
Loa Loa (eye worm) hypothetical protein 0.1088 0.1849 0.1842
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0121 0.0015 0.0007
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.038 0.0505 0.0059
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0358 0.0465 0.0465
Toxoplasma gondii FATC domain-containing protein 0.1038 0.1755 0.1859
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1891 0.3372 0.3367
Leishmania major phosphatidylinositol 4-kinase, putative 0.0358 0.0465 0.0457
Trichomonas vaginalis PIKK family atypical protein kinase 0.4292 0.7928 0.7928
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1038 0.1755 0.1748
Mycobacterium tuberculosis Conserved hypothetical protein 0.0358 0.0465 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1836 0.3268 0.3268
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.5384 1 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1891 0.3372 0.3367
Brugia malayi FAT domain containing protein 0.0798 0.1299 0.1291
Leishmania major hypothetical protein, conserved 0.0457 0.0652 0.0644
Plasmodium vivax hypothetical protein 0.0358 0.0465 0.9183
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1891 0.3372 0.3367
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.038 0.0505 0.0498
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.5384 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0207 0.0177 0.0169
Trichomonas vaginalis conserved hypothetical protein 0.1156 0.1978 0.1978
Echinococcus multilocularis 0.0358 0.0465 0.0457
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0121 0.0015 0.0007
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0446 0.0632 0.0624
Loa Loa (eye worm) hypothetical protein 0.049 0.0714 0.0707
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0423 0.0588 0.0588
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.5384 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1038 0.1755 0.1748
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0423 0.0588 0.0588
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1891 0.3372 0.3367
Trichomonas vaginalis PIKK family atypical protein kinase 0.1836 0.3268 0.3268
Trichomonas vaginalis PIKK family atypical protein kinase 0.3218 0.5891 0.5891
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1891 0.3372 0.3367
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0121 0.0015 0.0007
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0521 0.0774 0.0767
Trichomonas vaginalis conserved hypothetical protein 0.068 0.1075 0.1075
Schistosoma mansoni voltage-gated potassium channel 0.0132 0.0036 0.0028
Trichomonas vaginalis PIKK family atypical protein kinase 0.2924 0.5332 0.5332
Plasmodium vivax hypothetical protein, conserved 0.0358 0.0465 0.9183
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0358 0.0465 0.0457
Trichomonas vaginalis PIKK family atypical protein kinase 0.3204 0.5864 0.5864
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0118 0.0008 0.0008
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0423 0.0588 0.058
Trypanosoma cruzi target of rapamycin kinase 3 0.4296 0.7936 0.7934
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0565 0.0857 0.0849
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0752 0.1212 0.1205
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.038 0.0505 0.0498
Trichomonas vaginalis PIKK family atypical protein kinase 0.3218 0.5891 0.5891
Loa Loa (eye worm) hypothetical protein 0.0798 0.1299 0.1291
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.038 0.0505 0.0505
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0358 0.0465 0.0457
Onchocerca volvulus 0.0358 0.0465 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.4292 0.7928 0.7928
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0565 0.0857 0.0849
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0423 0.0588 0.058
Trichomonas vaginalis PIKK family atypical protein kinase 0.1038 0.1755 0.1755
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0358 0.0465 0.0457
Schistosoma mansoni hypothetical protein 0.0358 0.0465 0.0457
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1038 0.1755 0.1748
Trichomonas vaginalis PIKK family atypical protein kinase 0.5384 1 1
Entamoeba histolytica hypothetical protein 0.0521 0.0774 0.0767
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0358 0.0465 0.0457
Trichomonas vaginalis PIKK family atypical protein kinase 0.4016 0.7405 0.7405
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.038 0.0505 0.0498
Giardia lamblia Hypothetical protein 0.0358 0.0465 0.0457
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0637 0.0993 0.0986
Trichomonas vaginalis PIKK family atypical protein kinase 0.2928 0.5341 0.5341
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1038 0.1755 0.1748
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0358 0.0465 0.0457
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0358 0.0465 0.0457
Trichomonas vaginalis PIKK family atypical protein kinase 0.4016 0.7405 0.7405
Trichomonas vaginalis immunophilin, putative 0.0118 0.0008 0.0008
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1038 0.1755 0.1748
Trichomonas vaginalis PIKK family atypical protein kinase 0.3612 0.6638 0.6638
Trichomonas vaginalis PIKK family atypical protein kinase 0.4016 0.7405 0.7405
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0358 0.0465 0.0457
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0358 0.0465 0.0457
Schistosoma mansoni hypothetical protein 0.0798 0.1299 0.1291
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4296 0.7936 0.7934
Trichomonas vaginalis PIKK family atypical protein kinase 0.105 0.1777 0.1777
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0358 0.0465 0.0457
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0565 0.0857 0.0849
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0358 0.0465 0.9183
Trichomonas vaginalis conserved hypothetical protein 0.0798 0.1299 0.1299
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0358 0.0465 0.0457
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.5384 1 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0118 0.0008 0.5
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1156 0.1978 0.2181
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.5384 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.5384 1 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.049 0.0714 0.0707
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0423 0.0588 0.058
Onchocerca volvulus 0.0358 0.0465 0.5
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0358 0.0465 0.9183
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0188 0.0141 0.0133
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0565 0.0857 0.0849
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0565 0.0857 0.0857
Giardia lamblia Phosphatidylinositol 4-kinase 0.0358 0.0465 0.0457
Entamoeba histolytica hypothetical protein 0.1038 0.1755 0.1748
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0358 0.0465 0.9183
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0752 0.1212 0.1205
Loa Loa (eye worm) hypothetical protein 0.1156 0.1978 0.1972
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4296 0.7936 0.7934
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.5384 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4016 0.7405 0.7405
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0358 0.0465 0.0457
Trichomonas vaginalis PIKK family atypical protein kinase 0.2924 0.5332 0.5332
Entamoeba histolytica hypothetical protein 0.0358 0.0465 0.0457
Trichomonas vaginalis PIKK family atypical protein kinase 0.3218 0.5891 0.5891
Toxoplasma gondii target of rapamycin (TOR), putative 0.4016 0.7405 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0358 0.0465 0.0457
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.038 0.0505 0.0498
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1891 0.3372 0.3367
Trichomonas vaginalis PIKK family atypical protein kinase 0.0358 0.0465 0.0465
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1038 0.1755 0.1748
Trichomonas vaginalis PIKK family atypical protein kinase 0.4016 0.7405 0.7405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0358 0.0465 0.0465
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.038 0.0505 0.0498
Trichomonas vaginalis PIKK family atypical protein kinase 0.5384 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0358 0.0465 0.0457
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.038 0.0505 0.0498
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.038 0.0505 0.0059
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.038 0.0505 0.0498
Loa Loa (eye worm) hypothetical protein 0.0358 0.0465 0.0457
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.5384 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1836 0.3268 0.3268
Loa Loa (eye worm) phosphatidylinositol 3 0.0709 0.113 0.1123
Mycobacterium leprae conserved hypothetical protein 0.0358 0.0465 0.5
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0798 0.1299 0.1291
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.038 0.0505 0.0505
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.105 0.1777 0.177
Trichomonas vaginalis PIKK family atypical protein kinase 0.1836 0.3268 0.3268
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2248 0.4051 0.4046
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0498 0.073 0.073
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0358 0.0465 0.0457
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.038 0.0505 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.5384 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0358 0.0465 0.0457
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0423 0.0588 0.058
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1848 0.329 0.3285
Loa Loa (eye worm) hypothetical protein 0.1038 0.1755 0.1748
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0358 0.0465 0.0457
Entamoeba histolytica hypothetical protein 0.0358 0.0465 0.0457
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1038 0.1755 0.1748
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1836 0.3268 0.3263
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0358 0.0465 0.0457
Trichomonas vaginalis PIKK family atypical protein kinase 0.2928 0.5341 0.5341
Trichomonas vaginalis PIKK family atypical protein kinase 0.4292 0.7928 0.7928
Leishmania major phosphatidylinositol kinase related protein, putative 0.0358 0.0465 0.0457
Trichomonas vaginalis fk506-binding protein, putative 0.0118 0.0008 0.0008
Leishmania major hypothetical protein, unknown function 0.0358 0.0465 0.0457
Loa Loa (eye worm) hypothetical protein 0.068 0.1075 0.1068
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0358 0.0465 0.0457
Leishmania major phosphatidylinositol kinase, putative 0.0358 0.0465 0.0457
Trichomonas vaginalis PIKK family atypical protein kinase 0.2924 0.5332 0.5332
Trichomonas vaginalis PIKK family atypical protein kinase 0.5384 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0121 0.0015 0.0007
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0565 0.0857 0.0857
Entamoeba histolytica hypothetical protein 0.0358 0.0465 0.0457
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0455 0.0648 0.064
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0118 0.0008 0.0008
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.049 0.0714 0.0707
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1038 0.1755 0.1748
Echinococcus multilocularis Zinc finger, PHD finger 0.038 0.0505 0.0498
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0637 0.0993 0.0986
Trichomonas vaginalis PIKK family atypical protein kinase 0.4016 0.7405 0.7405
Schistosoma mansoni fkbp-rapamycin associated protein 0.1038 0.1755 0.1748
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0118 0.0008 0.5
Schistosoma mansoni phosphatidylinositol 4-kinase 0.038 0.0505 0.0498

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.968 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.852 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.736 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) -4.736 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) -4.633 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) -4.582 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) -4.568 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) -4.545 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) -4.499 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.365 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate 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.