Detailed information for compound 1647145

Basic information

Technical information
  • TDR Targets ID: 1647145
  • Name: [[4-(3-amino-2-carbamoyl-3-oxoprop-1-enyl)phe nyl]-hydroxymethyl]phosphonic acid
  • MW: 300.204 | Formula: C11H13N2O6P
  • H donors: 5 H acceptors: 6 LogP: -1.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)C(=Cc1ccc(cc1)C(P(=O)(O)O)O)C(=O)N
  • InChi: 1S/C11H13N2O6P/c12-9(14)8(10(13)15)5-6-1-3-7(4-2-6)11(16)20(17,18)19/h1-5,11,16H,(H2,12,14)(H2,13,15)(H2,17,18,19)
  • InChiKey: BLUJIWANNYDSRQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [[4-(3-amino-2-carbamoyl-3-oxo-prop-1-enyl)phenyl]-hydroxy-methyl]phosphonic acid
  • [[4-(3-amino-2-carbamoyl-3-keto-prop-1-enyl)phenyl]-hydroxy-methyl]phosphonic acid
  • [[4-(3-amino-2-aminocarbonyl-3-oxo-prop-1-enyl)phenyl]-hydroxy-methyl]phosphonic acid
  • NSC631881
  • NCI60_010483

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 0.3554 0.8473 0.8473
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0301 0.047 0.0461
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0301 0.047 1
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.028 0.0419 0.041
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0301 0.047 0.0461
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.4174 1 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0301 0.047 0.047
Trichomonas vaginalis PIKK family atypical protein kinase 0.1441 0.3275 0.3275
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0481 0.0913 0.0913
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0408 0.0733 0.0725
Loa Loa (eye worm) phosphatidylinositol kinase 0.028 0.0419 0.041
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0301 0.047 0.0461
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.1967 0.4568 0.4563
Loa Loa (eye worm) phosphatidylinositol 3 0.028 0.0419 0.041
Trichomonas vaginalis PIKK family atypical protein kinase 0.3329 0.7921 0.7921
Trichomonas vaginalis PIKK family atypical protein kinase 0.3116 0.7396 0.7396
Trichomonas vaginalis PIKK family atypical protein kinase 0.2274 0.5326 0.5326
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0551 0.1085 0.1076
Loa Loa (eye worm) phosphatidylinositol 3 0.4174 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0343 0.0574 0.0574
Loa Loa (eye worm) phosphatidylinositol 3 0.028 0.0419 0.041
Leishmania major phosphatidylinositol 3-kinase, putative 0.0301 0.047 0.0461
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.028 0.0419 0.8887
Trichomonas vaginalis PIKK family atypical protein kinase 0.0809 0.172 0.172
Echinococcus granulosus serine protein kinase ATM 0.0809 0.172 0.1712
Loa Loa (eye worm) phosphatidylinositol 3 0.028 0.0419 0.041
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.028 0.0419 0.8887
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0343 0.0574 0.0565
Trichomonas vaginalis PIKK family atypical protein kinase 0.3329 0.7921 0.7921
Trichomonas vaginalis PIKK family atypical protein kinase 0.2274 0.5326 0.5326
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0301 0.047 0.0461
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0663 0.1361 0.1353
Loa Loa (eye worm) phosphatidylinositol 3 0.1441 0.3275 0.3268
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.028 0.0419 0.041
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0809 0.172 0.1712
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0301 0.047 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.1122 0.2489 0.2489
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.028 0.0419 0.0419
Trichomonas vaginalis PIKK family atypical protein kinase 0.2488 0.585 0.585
Leishmania major phosphatidylinositol 3-kinase, putative 0.1429 0.3247 0.324
Schistosoma mansoni voltage-gated potassium channel 0.0128 0.0046 0.0036
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0416 0.0753 0.0753
Loa Loa (eye worm) hypothetical protein 0.0842 0.1801 0.1793
Trichomonas vaginalis PIKK family atypical protein kinase 0.2709 0.6394 0.6394
Trichomonas vaginalis PIKK family atypical protein kinase 0.0529 0.1031 0.1031
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0117 0.0019 0.001
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.028 0.0419 0.0419
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0301 0.047 0.0073
Loa Loa (eye worm) phosphatidylinositol 3 0.0621 0.1257 0.1249
Entamoeba histolytica protein kinase rad3, putative 0.0809 0.172 0.1712
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.4174 1 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1441 0.3275 0.3268
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0343 0.0574 0.0565
Giardia lamblia GTOR 0.4174 1 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0322 0.0523 0.0514
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.4174 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0201 0.0224 0.0215
Trichomonas vaginalis conserved hypothetical protein 0.0901 0.1946 0.1946
Loa Loa (eye worm) hypothetical protein 0.0408 0.0733 0.0725
Echinococcus multilocularis 0.028 0.0419 0.041
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0117 0.0019 0.001
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0366 0.063 0.0621
Loa Loa (eye worm) hypothetical protein 0.0809 0.172 0.1712
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0343 0.0574 0.0574
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0343 0.0574 0.0574
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.4174 1 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1483 0.3377 0.3371
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0117 0.0019 0.001
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1483 0.3377 0.3371
Trichomonas vaginalis PIKK family atypical protein kinase 0.1429 0.3247 0.3247
Trichomonas vaginalis PIKK family atypical protein kinase 0.2496 0.587 0.587
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1483 0.3377 0.3371
Leishmania major phosphatidylinositol 4-kinase, putative 0.028 0.0419 0.041
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0809 0.172 0.1712
Trichomonas vaginalis PIKK family atypical protein kinase 0.1429 0.3247 0.3247
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.4174 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3329 0.7921 0.7921
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0809 0.172 0.1712
Mycobacterium tuberculosis Conserved hypothetical protein 0.028 0.0419 0.5
Schistosoma mansoni hypothetical protein 0.0621 0.1257 0.1248
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1483 0.3377 0.3371
Leishmania major hypothetical protein, conserved 0.0376 0.0655 0.0646
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1483 0.3377 0.3371
Plasmodium vivax hypothetical protein 0.028 0.0419 0.8887
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0301 0.047 0.0461
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0481 0.0913 0.0904
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0343 0.0574 0.0565
Echinococcus multilocularis serine protein kinase ATM 0.0809 0.172 0.1712
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.028 0.0419 0.041
Onchocerca volvulus 0.028 0.0419 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.3329 0.7921 0.7921
Schistosoma mansoni hypothetical protein 0.028 0.0419 0.041
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0809 0.172 0.1712
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.028 0.0419 0.041
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0301 0.047 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.4174 1 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.028 0.0419 0.041
Entamoeba histolytica hypothetical protein 0.0439 0.0809 0.08
Trichomonas vaginalis PIKK family atypical protein kinase 0.3116 0.7396 0.7396
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0809 0.172 0.1712
Trichomonas vaginalis PIKK family atypical protein kinase 0.2274 0.5326 0.5326
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0529 0.1031 0.1023
Giardia lamblia Hypothetical protein 0.028 0.0419 0.041
Schistosoma mansoni voltage-gated potassium channel 0.0128 0.0046 0.0036
Trichomonas vaginalis PIKK family atypical protein kinase 0.2271 0.5317 0.5317
Trichomonas vaginalis conserved hypothetical protein 0.0529 0.1031 0.1031
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0439 0.0809 0.08
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0343 0.0574 0.0565
Trichomonas vaginalis PIKK family atypical protein kinase 0.2488 0.585 0.585
Plasmodium vivax hypothetical protein, conserved 0.028 0.0419 0.8887
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.028 0.0419 0.041
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0114 0.0009 0.0009
Trypanosoma cruzi target of rapamycin kinase 3 0.3333 0.7929 0.7927
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0481 0.0913 0.0904
Trichomonas vaginalis PIKK family atypical protein kinase 0.2496 0.587 0.587
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0621 0.1257 0.1248
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0301 0.047 0.047
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0301 0.047 0.0461
Loa Loa (eye worm) hypothetical protein 0.0621 0.1257 0.1248
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.028 0.0419 0.041
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0481 0.0913 0.0904
Plasmodium falciparum phosphatidylinositol 4-kinase 0.028 0.0419 0.8887
Trichomonas vaginalis PIKK family atypical protein kinase 0.082 0.1748 0.1748
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.4174 1 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0114 0.0009 0.5
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0901 0.1946 0.2188
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0663 0.1361 0.1353
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.028 0.0419 0.041
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.4174 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.4174 1 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.028 0.0419 0.8887
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0408 0.0733 0.0725
Onchocerca volvulus 0.028 0.0419 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0343 0.0574 0.0565
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.028 0.0419 0.041
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.028 0.0419 0.041
Trichomonas vaginalis PIKK family atypical protein kinase 0.3116 0.7396 0.7396
Trichomonas vaginalis PIKK family atypical protein kinase 0.28 0.662 0.662
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.028 0.0419 0.041
Trichomonas vaginalis PIKK family atypical protein kinase 0.3116 0.7396 0.7396
Schistosoma mansoni fkbp-rapamycin associated protein 0.0809 0.172 0.1712
Trichomonas vaginalis immunophilin, putative 0.0114 0.0009 0.0009
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.3333 0.7929 0.7927
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0663 0.1361 0.1353
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.028 0.0419 0.041
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.028 0.0419 0.041
Trichomonas vaginalis PIKK family atypical protein kinase 0.3116 0.7396 0.7396
Trichomonas vaginalis PIKK family atypical protein kinase 0.2496 0.587 0.587
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.028 0.0419 0.041
Toxoplasma gondii target of rapamycin (TOR), putative 0.3116 0.7396 1
Entamoeba histolytica hypothetical protein 0.028 0.0419 0.041
Trichomonas vaginalis PIKK family atypical protein kinase 0.2271 0.5317 0.5317
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0301 0.047 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.4174 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.028 0.0419 0.0419
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1483 0.3377 0.3371
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0301 0.047 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.028 0.0419 0.0419
Trichomonas vaginalis PIKK family atypical protein kinase 0.3116 0.7396 0.7396
Toxoplasma gondii FATC domain-containing protein 0.0809 0.172 0.1865
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.028 0.0419 0.041
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0301 0.047 0.0073
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0301 0.047 0.0461
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0481 0.0913 0.0904
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0182 0.0179 0.0169
Giardia lamblia Phosphatidylinositol 4-kinase 0.028 0.0419 0.041
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0481 0.0913 0.0913
Entamoeba histolytica hypothetical protein 0.0809 0.172 0.1712
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.028 0.0419 0.8887
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0621 0.1257 0.1248
Trypanosoma brucei target of rapamycin kinase 3, putative 0.3333 0.7929 0.7927
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.4174 1 1
Loa Loa (eye worm) hypothetical protein 0.0901 0.1946 0.1938
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0301 0.047 0.047
Trichomonas vaginalis conserved hypothetical protein 0.0621 0.1257 0.1257
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.082 0.1748 0.174
Trichomonas vaginalis PIKK family atypical protein kinase 0.1429 0.3247 0.3247
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1746 0.4025 0.4019
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0416 0.0753 0.0753
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.028 0.0419 0.041
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.4174 1 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0301 0.047 1
Loa Loa (eye worm) phosphatidylinositol 3 0.028 0.0419 0.041
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0343 0.0574 0.0565
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.4174 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1429 0.3247 0.3247
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0301 0.047 0.0461
Loa Loa (eye worm) hypothetical protein 0.028 0.0419 0.041
Brugia malayi FAT domain containing protein 0.0621 0.1257 0.1248
Mycobacterium leprae conserved hypothetical protein 0.028 0.0419 0.5
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0114 0.0009 0.0009
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0408 0.0733 0.0725
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0481 0.0913 0.0913
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0117 0.0019 0.001
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0374 0.0649 0.0641
Entamoeba histolytica hypothetical protein 0.028 0.0419 0.041
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0809 0.172 0.1712
Loa Loa (eye worm) hypothetical protein 0.0529 0.1031 0.1023
Echinococcus multilocularis Zinc finger, PHD finger 0.0301 0.047 0.0461
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0114 0.0009 0.5
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0301 0.047 0.0461
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0809 0.172 0.1712
Trichomonas vaginalis PIKK family atypical protein kinase 0.3116 0.7396 0.7396
Schistosoma mansoni phosphatidylinositol 4-kinase 0.028 0.0419 0.041
Entamoeba histolytica hypothetical protein 0.028 0.0419 0.041
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0809 0.172 0.1712
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1441 0.3275 0.3268
Trichomonas vaginalis PIKK family atypical protein kinase 0.0809 0.172 0.172
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1429 0.3247 0.324
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.028 0.0419 0.041
Leishmania major hypothetical protein, unknown function 0.028 0.0419 0.041
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0551 0.1085 0.1076
Trichomonas vaginalis PIKK family atypical protein kinase 0.3329 0.7921 0.7921
Trichomonas vaginalis PIKK family atypical protein kinase 0.2274 0.5326 0.5326
Leishmania major phosphatidylinositol kinase related protein, putative 0.028 0.0419 0.041
Trichomonas vaginalis fk506-binding protein, putative 0.0114 0.0009 0.0009
Trichomonas vaginalis PIKK family atypical protein kinase 0.2271 0.5317 0.5317
Leishmania major phosphatidylinositol kinase, putative 0.028 0.0419 0.041
Trichomonas vaginalis PIKK family atypical protein kinase 0.4174 1 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.028 0.0419 0.041

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 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 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 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 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 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 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
GI50 (functional) -4 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 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

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.

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