Detailed information for compound 176693

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 230.216 | Formula: C13H10O4
  • H donors: 0 H acceptors: 3 LogP: 1.15 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)OCC1=CC(=O)c2c(C1=O)cccc2
  • InChi: 1S/C13H10O4/c1-8(14)17-7-9-6-12(15)10-4-2-3-5-11(10)13(9)16/h2-6H,7H2,1H3
  • InChiKey: LVANOIBITFYTLA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.4318 0.7928 0.7928
Loa Loa (eye worm) phosphatidylinositol 3 0.036 0.0471 0.0461
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0381 0.0509 0.05
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2555 0.4606 0.46
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0486 0.0708 0.0699
Loa Loa (eye worm) phosphatidylinositol kinase 0.036 0.0471 0.0461
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0558 0.0844 0.0844
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0381 0.0509 0.0509
Trichomonas vaginalis PIKK family atypical protein kinase 0.1857 0.3291 0.3291
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.5418 1 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0381 0.0509 0.05
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0381 0.0509 0.05
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0381 0.0509 1
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.036 0.0471 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.4616 0.8489 0.8489
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.036 0.0471 0.0461
Echinococcus multilocularis serine protein kinase ATM 0.1044 0.1759 0.175
Loa Loa (eye worm) phosphatidylinositol 3 0.1857 0.3291 0.3284
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.036 0.0471 0.9224
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0422 0.0588 0.0578
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0381 0.0509 0.05
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0802 0.1304 0.1295
Trichomonas vaginalis PIKK family atypical protein kinase 0.4318 0.7928 0.7928
Trichomonas vaginalis PIKK family atypical protein kinase 0.2946 0.5342 0.5342
Trichomonas vaginalis PIKK family atypical protein kinase 0.1044 0.1759 0.1759
Echinococcus granulosus serine protein kinase ATM 0.1044 0.1759 0.175
Loa Loa (eye worm) phosphatidylinositol 3 0.036 0.0471 0.0461
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.036 0.0471 0.9224
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0422 0.0588 0.0588
Loa Loa (eye worm) phosphatidylinositol 3 0.5418 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.036 0.0471 0.0461
Leishmania major phosphatidylinositol 3-kinase, putative 0.0381 0.0509 0.05
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0684 0.1081 0.1071
Trichomonas vaginalis PIKK family atypical protein kinase 0.4041 0.7405 0.7405
Trichomonas vaginalis PIKK family atypical protein kinase 0.2946 0.5342 0.5342
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0738 0.1183 0.1173
Trichomonas vaginalis PIKK family atypical protein kinase 0.0684 0.1081 0.1081
Trichomonas vaginalis PIKK family atypical protein kinase 0.3516 0.6417 0.6417
Loa Loa (eye worm) hypothetical protein 0.1095 0.1856 0.1847
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0381 0.0509 0.0056
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.036 0.0471 0.0471
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0118 0.0015 0.0004
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0494 0.0724 0.0724
Leishmania major phosphatidylinositol 3-kinase, putative 0.1846 0.327 0.3263
Schistosoma mansoni voltage-gated potassium channel 0.0129 0.0035 0.0025
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.036 0.0471 0.0471
Trichomonas vaginalis PIKK family atypical protein kinase 0.3223 0.5865 0.5865
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0381 0.0509 0.05
Trichomonas vaginalis PIKK family atypical protein kinase 0.1455 0.2534 0.2534
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0402 0.0549 0.0539
Giardia lamblia GTOR 0.5418 1 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1857 0.3291 0.3284
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0422 0.0588 0.0578
Entamoeba histolytica protein kinase rad3, putative 0.1044 0.1759 0.175
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.5418 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1898 0.3369 0.3362
Trichomonas vaginalis PIKK family atypical protein kinase 0.1846 0.327 0.327
Trichomonas vaginalis PIKK family atypical protein kinase 0.3239 0.5894 0.5894
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1898 0.3369 0.3362
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0118 0.0015 0.0004
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.5418 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0422 0.0588 0.0588
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1044 0.1759 0.175
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0422 0.0588 0.0588
Echinococcus multilocularis 0.036 0.0471 0.0461
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0445 0.063 0.062
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0118 0.0015 0.0004
Loa Loa (eye worm) hypothetical protein 0.0486 0.0708 0.0699
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.5418 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0198 0.0166 0.0155
Trichomonas vaginalis conserved hypothetical protein 0.1162 0.1982 0.1982
Plasmodium vivax hypothetical protein 0.036 0.0471 0.9224
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1898 0.3369 0.3362
Leishmania major hypothetical protein, conserved 0.0455 0.0649 0.0639
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0381 0.0509 0.05
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1898 0.3369 0.3362
Brugia malayi FAT domain containing protein 0.0802 0.1304 0.1295
Trichomonas vaginalis PIKK family atypical protein kinase 0.4318 0.7928 0.7928
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1044 0.1759 0.175
Mycobacterium tuberculosis Conserved hypothetical protein 0.036 0.0471 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1846 0.327 0.327
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.5418 1 1
Toxoplasma gondii FATC domain-containing protein 0.1044 0.1759 0.1858
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1898 0.3369 0.3362
Leishmania major phosphatidylinositol 4-kinase, putative 0.036 0.0471 0.0461
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0627 0.0974 0.0964
Giardia lamblia Hypothetical protein 0.036 0.0471 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.2946 0.5342 0.5342
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1044 0.1759 0.175
Trichomonas vaginalis PIKK family atypical protein kinase 0.5418 1 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.036 0.0471 0.0461
Entamoeba histolytica hypothetical protein 0.0516 0.0765 0.0756
Trichomonas vaginalis PIKK family atypical protein kinase 0.4041 0.7405 0.7405
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0381 0.0509 0.05
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.036 0.0471 0.0461
Schistosoma mansoni hypothetical protein 0.036 0.0471 0.0461
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1044 0.1759 0.175
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.036 0.0471 0.0461
Onchocerca volvulus 0.036 0.0471 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.4318 0.7928 0.7928
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0558 0.0844 0.0834
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0422 0.0588 0.0578
Trichomonas vaginalis PIKK family atypical protein kinase 0.1044 0.1759 0.1759
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0738 0.1183 0.1173
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0381 0.0509 0.05
Trichomonas vaginalis PIKK family atypical protein kinase 0.3239 0.5894 0.5894
Loa Loa (eye worm) hypothetical protein 0.0802 0.1304 0.1295
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0381 0.0509 0.0509
Trypanosoma cruzi target of rapamycin kinase 3 0.4323 0.7937 0.7934
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0558 0.0844 0.0834
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.036 0.0471 0.0461
Plasmodium vivax hypothetical protein, conserved 0.036 0.0471 0.9224
Trichomonas vaginalis PIKK family atypical protein kinase 0.3223 0.5865 0.5865
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0116 0.001 0.001
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0422 0.0588 0.0578
Trichomonas vaginalis conserved hypothetical protein 0.0684 0.1081 0.1081
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0516 0.0765 0.0756
Schistosoma mansoni voltage-gated potassium channel 0.0129 0.0035 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.2941 0.5334 0.5334
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0486 0.0708 0.0699
Onchocerca volvulus 0.036 0.0471 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0422 0.0588 0.0578
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.036 0.0471 0.9224
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.5418 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.5418 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0802 0.1304 0.1304
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.036 0.0471 0.0461
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.5418 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1162 0.1982 0.218
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0116 0.001 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1055 0.178 0.178
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.036 0.0471 0.0461
Plasmodium falciparum phosphatidylinositol 4-kinase 0.036 0.0471 0.9224
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0558 0.0844 0.0834
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.036 0.0471 0.0461
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4323 0.7937 0.7934
Schistosoma mansoni hypothetical protein 0.0802 0.1304 0.1295
Trichomonas vaginalis immunophilin, putative 0.0116 0.001 0.001
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1044 0.1759 0.175
Trichomonas vaginalis PIKK family atypical protein kinase 0.3635 0.664 0.664
Trichomonas vaginalis PIKK family atypical protein kinase 0.4041 0.7405 0.7405
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.036 0.0471 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.4041 0.7405 0.7405
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.036 0.0471 0.0461
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.036 0.0471 0.0461
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.036 0.0471 0.0461
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0381 0.0509 0.0056
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0381 0.0509 0.05
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0381 0.0509 0.05
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1898 0.3369 0.3362
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1044 0.1759 0.175
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.0471 0.0471
Trichomonas vaginalis PIKK family atypical protein kinase 0.4041 0.7405 0.7405
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0381 0.0509 0.05
Trichomonas vaginalis PIKK family atypical protein kinase 0.5418 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.0471 0.0471
Entamoeba histolytica hypothetical protein 0.036 0.0471 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.2941 0.5334 0.5334
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.036 0.0471 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.3239 0.5894 0.5894
Toxoplasma gondii target of rapamycin (TOR), putative 0.4041 0.7405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4041 0.7405 0.7405
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.036 0.0471 0.0461
Loa Loa (eye worm) hypothetical protein 0.1162 0.1982 0.1974
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4323 0.7937 0.7934
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.5418 1 1
Entamoeba histolytica hypothetical protein 0.1044 0.1759 0.175
Giardia lamblia Phosphatidylinositol 4-kinase 0.036 0.0471 0.0461
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0558 0.0844 0.0844
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.036 0.0471 0.9224
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0738 0.1183 0.1173
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.018 0.0131 0.0121
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0558 0.0844 0.0834
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0422 0.0588 0.0578
Loa Loa (eye worm) phosphatidylinositol 3 0.036 0.0471 0.0461
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0381 0.0509 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.5418 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.036 0.0471 0.0461
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0494 0.0724 0.0724
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2262 0.4054 0.4048
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0381 0.0509 0.0509
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0802 0.1304 0.1295
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1055 0.178 0.1771
Trichomonas vaginalis PIKK family atypical protein kinase 0.1846 0.327 0.327
Mycobacterium leprae conserved hypothetical protein 0.036 0.0471 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0696 0.1104 0.1095
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0381 0.0509 0.05
Loa Loa (eye worm) hypothetical protein 0.036 0.0471 0.0461
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.5418 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1846 0.327 0.327
Schistosoma mansoni fkbp-rapamycin associated protein 0.1044 0.1759 0.175
Trichomonas vaginalis PIKK family atypical protein kinase 0.4041 0.7405 0.7405
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0116 0.001 0.5
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0381 0.0509 0.05
Echinococcus multilocularis Zinc finger, PHD finger 0.0381 0.0509 0.05
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0627 0.0974 0.0964
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1044 0.1759 0.175
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0558 0.0844 0.0844
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0118 0.0015 0.0004
Entamoeba histolytica hypothetical protein 0.036 0.0471 0.0461
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0453 0.0645 0.0635
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0116 0.001 0.001
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0486 0.0708 0.0699
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.036 0.0471 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.2941 0.5334 0.5334
Leishmania major phosphatidylinositol kinase, putative 0.036 0.0471 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.5418 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4318 0.7928 0.7928
Leishmania major phosphatidylinositol kinase related protein, putative 0.036 0.0471 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.2946 0.5342 0.5342
Trichomonas vaginalis fk506-binding protein, putative 0.0116 0.001 0.001
Leishmania major hypothetical protein, unknown function 0.036 0.0471 0.0461
Loa Loa (eye worm) hypothetical protein 0.0684 0.1081 0.1071
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1846 0.327 0.3263
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.036 0.0471 0.0461
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1857 0.3291 0.3284
Loa Loa (eye worm) hypothetical protein 0.1044 0.1759 0.175
Schistosoma mansoni phosphatidylinositol 4-kinase 0.036 0.0471 0.0461
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1044 0.1759 0.175
Entamoeba histolytica hypothetical protein 0.036 0.0471 0.0461

Activities

Activity type Activity value Assay description Source Reference
Average weight change (functional) = -14.4 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 10 mg/kg ChEMBL. 7097727
Average weight change (functional) = -14.4 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 10 mg/kg ChEMBL. 7097727
Average weight change (functional) = -10.2 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 20 mg/kg ChEMBL. 7097727
Average weight change (functional) = -10.2 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 20 mg/kg ChEMBL. 7097727
Average weight change (functional) = -9.3 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 5 mg/kg ChEMBL. 7097727
Average weight change (functional) = -9.3 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 5 mg/kg ChEMBL. 7097727
k cat (binding) = 280 s-1 Kinetic analysis of the compound using purified human DT-diaphorase. ChEMBL. 10956224
k cat (binding) = 280 s-1 Kinetic analysis of the compound using purified human DT-diaphorase. ChEMBL. 10956224
Km (binding) = 1.7 uM Kinetic analysis of the compound using purified human DT-diaphorase. ChEMBL. 10956224
Km (binding) = 1.7 uM Kinetic analysis of the compound using purified human DT-diaphorase. ChEMBL. 10956224
LC99 (functional) = 22 uM cytotoxic activity against human colon carcinoma BE cell lines. ChEMBL. 10956224
LC99 (functional) = 22 uM cytotoxic activity against human colon carcinoma BE cell lines. ChEMBL. 10956224
LC99 (functional) = 64 uM cytotoxic activity against human colon carcinoma HT-29 cell lines. ChEMBL. 10956224
LC99 (functional) = 64 uM cytotoxic activity against human colon carcinoma HT-29 cell lines. ChEMBL. 10956224
Ratio (binding) = 1.4 Ratio of Vmax and Km ChEMBL. 10956224
Ratio (binding) = 1.6 Ratio of Kcat and Km ChEMBL. 10956224
T/C (functional) = 0.7 Ratio of the survival time of treated to control animals at dose 20 mg/kg ChEMBL. 7097727
T/C (functional) = 1.62 Ratio of the survival time of treated to control animals at dose 10 mg/kg ChEMBL. 7097727
T/C (functional) = 1.66 Ratio of the survival time of treated to control animals at dose 5 mg/kg ChEMBL. 7097727
Vmax (binding) = 2.4 uM s-1 Kinetic analysis of the compound using purified human DT-diaphorase. ChEMBL. 10956224
Vmax (binding) = 2.4 uM s-1 Kinetic analysis of the compound using purified human DT-diaphorase. ChEMBL. 10956224

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

2 literature references were collected for this gene.

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