Detailed information for compound 591265

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 450.466 | Formula: C23H23FN6O3
  • H donors: 3 H acceptors: 4 LogP: 3.39 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cccc(c1)NC(=O)NC1CCN(C1)c1ccnc(n1)Nc1ccc(cc1)F
  • InChi: 1S/C23H23FN6O3/c1-33-21(31)15-3-2-4-18(13-15)27-23(32)28-19-10-12-30(14-19)20-9-11-25-22(29-20)26-17-7-5-16(24)6-8-17/h2-9,11,13,19H,10,12,14H2,1H3,(H,25,26,29)(H2,27,28,32)
  • InChiKey: LLVPDBRSUHNJQQ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain PHD finger transcription factor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_133298 All targets in OG5_133298
Echinococcus multilocularis fetal alzheimer antigen, falz Get druggable targets OG5_133298 All targets in OG5_133298
Brugia malayi PHD-finger family protein Get druggable targets OG5_133298 All targets in OG5_133298
Loa Loa (eye worm) PHD-finger family protein Get druggable targets OG5_133298 All targets in OG5_133298
Echinococcus granulosus acetyl coenzyme A C acetyltransferase Get druggable targets OG5_133298 All targets in OG5_133298
Echinococcus multilocularis acetyl coenzyme A C acetyltransferase Get druggable targets OG5_133298 All targets in OG5_133298
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133298 All targets in OG5_133298

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 phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.016 0.4989 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0252 0.0212
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0076 0.191 0.1877
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0252 0.0212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.1051 0.2106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.1376 0.2758
Loa Loa (eye worm) hypothetical protein 0.0031 0.0252 0.024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1241 0.2488
Mycobacterium tuberculosis Probable oxidoreductase 0.0031 0.0252 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.086 0.1723
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0061 0.1378 0.7154
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0076 0.191 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0105 0.2984 0.5949
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0252 0.0212
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0763 0.0725
Loa Loa (eye worm) hypothetical protein 0.0146 0.4459 0.5023
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0252 0.0504
Onchocerca volvulus 0.0031 0.0252 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0252 0.0212
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0252 0.0504
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0057 0.1203 0.2348
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0252 0.0504
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0252 0.0504
Schistosoma mansoni bromodomain containing protein 0.003 0.0231 0.0191
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0252 0.0212
Echinococcus multilocularis aldo keto reductase 0.0031 0.0252 0.0212
Onchocerca volvulus 0.0031 0.0252 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.016 0.4989 1
Brugia malayi PHD-finger family protein 0.0097 0.2687 0.5347
Trypanosoma cruzi target of rapamycin kinase 3 0.0061 0.1378 0.2703
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1241 0.2488
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0128 0.3827 0.7652
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.086 0.1723
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0025 0.0041 0.5
Echinococcus multilocularis aldo keto reductase 0.0031 0.0252 0.0212
Mycobacterium ulcerans oxidoreductase 0.0031 0.0252 0.5
Schistosoma mansoni pol-related 0.0031 0.0252 0.0212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0076 0.191 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0126 0.0086
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0717 0.068
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0252 0.0426
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0252 0.0212
Loa Loa (eye worm) oxidoreductase 0.0031 0.0252 0.024
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0076 0.191 0.3778
Schistosoma mansoni aldo-keto reductase 0.0031 0.0252 0.0212
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0252 0.0212
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0252 0.0504
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0252 0.0212
Echinococcus multilocularis aldo keto reductase 0.0031 0.0252 0.0212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0994 0.1993
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0061 0.1378 0.7154
Trypanosoma brucei prostaglandin f synthase 0.0031 0.0252 0.1128
Leishmania major aldo-keto reductase-like protein 0.0031 0.0252 0.1128
Entamoeba histolytica aldose reductase, putative 0.0031 0.0252 0.0426
Onchocerca volvulus 0.0031 0.0252 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.191 0.3829
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0763 0.0725
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0252 0.0504
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.016 0.4989 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0175 0.0351
Onchocerca volvulus 0.0031 0.0252 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0076 0.191 0.3778
Echinococcus granulosus acetyl coenzyme A C acetyltransferase 0.0067 0.1587 0.1553
Loa Loa (eye worm) hypothetical protein 0.0105 0.2984 0.3346
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0057 0.1203 0.1167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0709 0.1422
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0057 0.1203 0.6215
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0047 0.0866 0.1668
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0029 0.0175 0.0272
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0252 0.0426
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.191 0.3829
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0252 0.0504
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.016 0.4989 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0707 0.1417
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0029 0.0175 0.0719
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0137 0.4142 0.8289
Echinococcus granulosus aldo keto reductase 0.0031 0.0252 0.0212
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0025 0.0041 0.0082
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0126 0.0086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1241 0.2488
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 0.0252 0.0504
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0763 0.0821
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0252 0.0212
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.016 0.4989 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0709 0.1422
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0707 0.1417
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0031 0.0252 0.1128
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.1376 0.2758
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0041 0.063 0.211
Giardia lamblia GTOR 0.0076 0.191 0.9248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0709 0.1422
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0252 0.0504
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0252 0.0426
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0252 0.0504
Trypanosoma brucei aldo-keto reductase, putative 0.0031 0.0252 0.1128
Onchocerca volvulus 0.0031 0.0252 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0844 0.1692
Loa Loa (eye worm) hypothetical protein 0.0072 0.1776 0.1972
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 0.0252 0.0504
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0029 0.0175 0.0272
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0252 0.0212
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0297 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.1376 0.2758
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0175 0.0351
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0076 0.191 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0029 0.0175 0.0153
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0076 0.191 0.1877
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0763 0.0725
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0175 0.0351
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0252 0.0426
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.1528 0.3064
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0252 0.0212
Schistosoma mansoni aldo-keto reductase 0.0031 0.0252 0.0212
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.008 0.2045 1
Schistosoma mansoni hypothetical protein 0.0025 0.0042 0.0001
Loa Loa (eye worm) oxidoreductase 0.0031 0.0252 0.024
Loa Loa (eye worm) hypothetical protein 0.0146 0.4459 0.5023
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0252 0.0212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.016 0.4989 1
Loa Loa (eye worm) oxidoreductase 0.0031 0.0252 0.024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0175 0.0351
Onchocerca volvulus 0.0031 0.0252 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0112 0.3239 0.3636
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1241 0.2488
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0031 0.0252 0.1128
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0297 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0763 0.0725
Brugia malayi Muscleblind-like protein 0.0146 0.4459 0.893
Echinococcus granulosus hypothetical protein 0.0031 0.0252 0.0212
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0031 0.0252 0.5
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0029 0.0175 0.0135
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0252 0.0212
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0105 0.2984 0.2956
Echinococcus granulosus aldo keto reductase 0.0031 0.0252 0.0212
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0252 0.0212
Entamoeba histolytica aldose reductase, putative 0.0031 0.0252 0.0426
Loa Loa (eye worm) oxidoreductase 0.0031 0.0252 0.024
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0252 0.0504
Loa Loa (eye worm) phosphatidylinositol 3 0.0047 0.0866 0.0938
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0076 0.191 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.086 0.1723
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0252 0.0212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0057 0.1203 0.2348
Echinococcus multilocularis muscleblind protein 1 0.0146 0.4459 0.4437
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0094 0.2582 0.2552
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0025 0.0041 0.0082
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.016 0.4989 1
Entamoeba histolytica aldose reductase, putative 0.0031 0.0252 0.0426
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0076 0.191 0.3778
Echinococcus multilocularis muscleblind protein 0.0146 0.4459 0.4437
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 0.0252 0.0504
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0763 0.0725
Trypanosoma cruzi aldo-keto reductase 0.0031 0.0252 0.0426
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0029 0.0175 0.0135
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0252 0.0504
Echinococcus granulosus aldo keto reductase 0.0031 0.0252 0.0212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1241 0.2488
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0074 0.1822 0.3601
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0029 0.0175 0.0719
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0105 0.2984 0.2956
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0111 0.3207 0.6429
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0057 0.1203 0.2411
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0076 0.191 0.3778
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0175 0.0351
Toxoplasma gondii target of rapamycin (TOR), putative 0.0058 0.1241 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0763 0.1459
Leishmania major prostaglandin f synthase, putative 0.0031 0.0252 0.1128
Echinococcus granulosus muscleblind protein 0.0146 0.4459 0.4437
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.1376 0.2758
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0111 0.3207 0.6429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.1376 0.2758
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0763 0.0725
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0252 0.0212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.191 0.3829
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0057 0.1203 0.2411
Echinococcus multilocularis aldo keto reductase 0.0031 0.0252 0.0212
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0057 0.1203 0.2348
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 0.0252 0.0504
Entamoeba histolytica hypothetical protein 0.0128 0.3827 0.7652
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 0.0252 0.0504
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0029 0.0175 0.0272
Leishmania major phosphatidylinositol 3-kinase, putative 0.0029 0.0175 0.0719
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0252 0.0212
Trypanosoma cruzi aldo/keto reductase, putative 0.0031 0.0252 0.0426
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0057 0.1203 0.2348
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0252 0.0504
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0034 0.0384 0.1836
Loa Loa (eye worm) oxidoreductase 0.0031 0.0252 0.024
Loa Loa (eye worm) phosphatidylinositol 3 0.0266 0.8838 1
Brugia malayi Bromodomain containing protein 0.0046 0.0822 0.1579
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0252 0.0212
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0057 0.1203 0.2411
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0029 0.0175 0.0719
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0025 0.0041 0.5
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0029 0.0175 0.0135
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0038 0.0534 0.264
Echinococcus multilocularis acetyl coenzyme A C acetyltransferase 0.0067 0.1587 0.1553
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0709 0.1422
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0076 0.191 0.3778
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0707 0.1417
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0844 0.1692
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1241 0.2488
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0717 0.068
Loa Loa (eye worm) phosphatidylinositol 3 0.0076 0.191 0.2125
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0252 0.0212
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0025 0.0041 0.0082
Toxoplasma gondii aldose reductase, putative 0.0031 0.0252 0.1756
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0252 0.0212
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0763 0.0725
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1241 0.2488
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0076 0.191 0.1877
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0151 0.4652 0.9319
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 0.0252 0.0504
Loa Loa (eye worm) hypothetical protein 0.0055 0.1136 0.1245

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -0.55 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 1.14 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 2.08 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 3 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 5 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 83 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 100 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 6.15 Inhibition Frequency Index (IFI) GSK. 20485427
Kd (binding) = 2800 nM Binding affinity to BPTF (unknown origin) by isothermal titration calorimetric analysis ChEMBL. 26572217
Percent growth inhibition (functional) = 3 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 5 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 83 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 100 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.3 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.49963 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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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