Detailed information for compound 1980081

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 360.757 | Formula: C20H12ClF3O
  • H donors: 1 H acceptors: 1 LogP: 5.63 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1c1ccc2c(c1)C(O)(c1c2cccc1)C(F)(F)F
  • InChi: 1S/C20H12ClF3O/c21-18-8-4-2-5-13(18)12-9-10-15-14-6-1-3-7-16(14)19(25,17(15)11-12)20(22,23)24/h1-11,25H
  • InChiKey: OVEZLYUBLWCYNS-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 pyruvate dehydrogenase kinase, isozyme 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409
Schistosoma mansoni pyruvate dehydrogenase Get druggable targets OG5_127409 All targets in OG5_127409
Schistosoma japonicum [Pyruvate dehydrogenase [lipoamide]] kinase, mitochondrial precursor, putative Get druggable targets OG5_127409 All targets in OG5_127409
Schistosoma mansoni pyruvate dehydrogenase Get druggable targets OG5_127409 All targets in OG5_127409
Brugia malayi kinase, mitochondrial precursor Get druggable targets OG5_127409 All targets in OG5_127409
Trypanosoma brucei developmentally regulated phosphoprotein Get druggable targets OG5_127409 All targets in OG5_127409
Trypanosoma congolense developmentally regulated phosphoprotein, putative Get druggable targets OG5_127409 All targets in OG5_127409
Leishmania major developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase Get druggable targets OG5_127409 All targets in OG5_127409
Schistosoma japonicum ko:K00898 pyruvate dehydrogenase kinase [EC2.7.11.2], putative Get druggable targets OG5_127409 All targets in OG5_127409
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase Get druggable targets OG5_127409 All targets in OG5_127409
Trypanosoma brucei gambiense developmentally regulated phosphoprotein Get druggable targets OG5_127409 All targets in OG5_127409
Leishmania donovani developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127409 All targets in OG5_127409
Trypanosoma cruzi developmentally regulated phosphoprotein, putative Get druggable targets OG5_127409 All targets in OG5_127409
Candida albicans similar to S. pombe SPAC644.11c predicted pyruvate dehydrogenase kinase Get druggable targets OG5_127409 All targets in OG5_127409
Schistosoma mansoni pyruvate dehydrogenase Get druggable targets OG5_127409 All targets in OG5_127409
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase Get druggable targets OG5_127409 All targets in OG5_127409
Leishmania mexicana developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409
Leishmania braziliensis developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative pyruvate dehydrogenase kinase, isozyme 2 343 aa 321 aa 22.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.002 0.0156 0.0117
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.0483 0.0483
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0256 0.0448
Echinococcus multilocularis para nitrobenzyl esterase 0.0118 0.1573 0.1541
Brugia malayi Carboxylesterase family protein 0.0118 0.1573 0.1573
Loa Loa (eye worm) acetylcholinesterase 1 0.0698 1 1
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.005 0.059 0.2888
Brugia malayi beta-lactamase family protein 0.0031 0.0315 0.0315
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0379
Loa Loa (eye worm) carboxylesterase 0.0118 0.1573 0.1541
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0081 0.104 0.104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0206 0.0359
Loa Loa (eye worm) hypothetical protein 0.0031 0.0315 0.0277
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0118 0.1573 0.1541
Loa Loa (eye worm) hypothetical protein 0.0043 0.0483 0.0446
Echinococcus multilocularis musashi 0.0044 0.0497 0.046
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0379
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0031 0.0315 0.0315
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0081 0.104 0.1005
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0126 0.1691 0.1658
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0081 0.104 0.1005
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0315 0.2831
Brugia malayi Muscleblind-like protein 0.0147 0.1997 0.1997
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0038 0.0417 0.0379
Loa Loa (eye worm) beta-lactamase 0.0031 0.0315 0.0277
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0256 0.0448
Brugia malayi nuclear hormone receptor 0.0081 0.104 0.104
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0043 0.0483 0.0446
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0179 0.031
Onchocerca volvulus 0.0118 0.1573 0.2507
Echinococcus multilocularis Smad4 0.0013 0.0056 0.0017
Brugia malayi nuclear hormone receptor family member nhr-6 0.0038 0.0417 0.0417
Loa Loa (eye worm) jmjC domain-containing protein 0.0029 0.0279 0.0241
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0038 0.0417 0.0386
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0081 0.104 0.104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0284 0.0496
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0081 0.104 0.1005
Echinococcus multilocularis microtubule associated protein 2 0.0679 0.9732 0.9731
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.005 0.0591 0.0591
Loa Loa (eye worm) hypothetical protein 0.0081 0.104 0.1005
Brugia malayi intermediate filament protein 0.0044 0.0497 0.0497
Echinococcus granulosus beta LACTamase domain containing family member 0.0031 0.0315 0.0277
Schistosoma mansoni steroid hormone receptor ad4bp 0.0081 0.104 0.104
Schistosoma mansoni nuclear receptor 0.0038 0.0417 0.0417
Echinococcus granulosus histone acetyltransferase KAT2B 0.0122 0.1639 0.1607
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0081 0.104 0.104
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0118 0.1573 0.1573
Brugia malayi nuclear hormone receptor 0.0038 0.0417 0.0417
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0256 0.0448
Brugia malayi Pre-SET motif family protein 0.0351 0.4956 0.4956
Schistosoma mansoni smad 0.0013 0.0056 0.0056
Echinococcus granulosus acetylcholinesterase 0.0698 1 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0034 0.0354 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0081 0.104 0.1005
Brugia malayi hypothetical protein 0.0118 0.1573 0.1573
Loa Loa (eye worm) hypothetical protein 0.002 0.0156 0.0117
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0081 0.104 0.104
Echinococcus multilocularis lamin 0.0044 0.0497 0.046
Schistosoma mansoni Smad4 0.0013 0.0056 0.0056
Loa Loa (eye worm) nuclear receptor NHR-67 0.0038 0.0417 0.0379
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0284 0.0496
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0081 0.104 0.1005
Onchocerca volvulus 0.0038 0.0417 0.0386
Loa Loa (eye worm) hypothetical protein 0.0144 0.1949 0.1917
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0144 0.1949 0.1917
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0043 0.0483 0.0446
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0021 0.0167 0.0129
Schistosoma mansoni nuclear hormone receptor 0.0038 0.0417 0.0417
Onchocerca volvulus 0.0083 0.1071 0.1587
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0379
Echinococcus multilocularis thyroid hormone receptor alpha 0.0081 0.104 0.1005
Toxoplasma gondii target of rapamycin (TOR), putative 0.0027 0.0256 0.1011
Brugia malayi nuclear receptor NHR-88 0.0038 0.0417 0.0417
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0039 0.0063
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0078 0.0992 0.0957
Entamoeba histolytica hypothetical protein 0.0035 0.0375 0.5382
Schistosoma mansoni gliotactin 0.0118 0.1573 0.1573
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.005 0.0591 0.0554
Onchocerca volvulus 0.0118 0.1573 0.2507
Echinococcus multilocularis ecdysone induced protein 78C 0.0081 0.104 0.1005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0284 0.0496
Schistosoma mansoni smad1 5 8 and 0.0013 0.0056 0.0056
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0038 0.0417 0.0379
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0256 0.0448
Schistosoma mansoni retinoic acid receptor RXR 0.0081 0.104 0.104
Loa Loa (eye worm) hypothetical protein 0.0147 0.1997 0.1966
Brugia malayi hypothetical protein 0.0035 0.0375 0.0375
Loa Loa (eye worm) hypothetical protein 0.0031 0.0315 0.0277
Loa Loa (eye worm) hypothetical protein 0.0122 0.1638 0.1605
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0375 0.0337
Echinococcus granulosus Nuclear hormone receptor HR96 0.0038 0.0417 0.0379
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0175 0.0304
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0148 0.0256
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0148 0.0256
Schistosoma mansoni hypothetical protein 0.0039 0.0423 0.0423
Echinococcus multilocularis lysine specific demethylase 5A 0.0029 0.0279 0.0241
Loa Loa (eye worm) hypothetical protein 0.0118 0.1573 0.1541
Loa Loa (eye worm) phosphatidylinositol 3 0.0037 0.0393 0.0356
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0043 0.0483 0.0483
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0698 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0379
Echinococcus granulosus neuroligin 0.0118 0.1573 0.1541
Loa Loa (eye worm) acetyltransferase 0.0126 0.1691 0.1658
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0284 0.0496
Schistosoma mansoni BC026374 protein (S09 family) 0.0118 0.1573 0.1573
Loa Loa (eye worm) hypothetical protein 0.0083 0.1071 0.1036
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0379
Schistosoma mansoni hypothetical protein 0.0084 0.1075 0.1075
Loa Loa (eye worm) Smad1 0.0013 0.0056 0.0017
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0206 0.0168
Schistosoma mansoni hypothetical protein 0.0035 0.0375 0.0375
Loa Loa (eye worm) hypothetical protein 0.0698 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0081 0.104 0.104
Schistosoma mansoni jumonji domain containing protein 0.0062 0.076 0.076
Onchocerca volvulus 0.005 0.0591 0.0706
Loa Loa (eye worm) hypothetical protein 0.0118 0.1573 0.1541
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0029 0.0284 0.1286
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0078 0.0992 0.0957
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.005 0.0591 0.0554
Schistosoma mansoni hypothetical protein 0.0024 0.0206 0.0206
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.005 0.0591 0.0591
Brugia malayi nuclear receptor NHR-88 0.0081 0.104 0.104
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.005 0.0591 0.7695
Brugia malayi hypothetical protein 0.0038 0.0417 0.0417
Schistosoma mansoni neuroligin 3 (S09 family) 0.0118 0.1573 0.1573
Loa Loa (eye worm) carboxylesterase 0.0118 0.1573 0.1541
Echinococcus granulosus nuclear receptor nhr 48 0.0038 0.0417 0.0379
Brugia malayi Carboxylesterase family protein 0.0118 0.1573 0.1573
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0081 0.104 0.104
Brugia malayi conserved hypotetical protein 0.0038 0.0417 0.0417
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0081 0.104 0.1005
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0081 0.104 0.1005
Mycobacterium leprae Probable lipase LipE 0.0031 0.0315 0.5
Echinococcus granulosus muscleblind protein 0.0147 0.1997 0.1966
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0037 0.0393 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0081 0.104 0.1005
Loa Loa (eye worm) hypothetical protein 0.0043 0.0483 0.0446
Brugia malayi Latrophilin receptor protein 2 0.0039 0.0423 0.0423
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0148 0.0256
Leishmania major developmentally regulated phosphoprotein-like protein 0.0144 0.1949 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.104 0.1005
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0144 0.1949 0.1917
Brugia malayi nuclear receptor RXR 0.0038 0.0417 0.0417
Toxoplasma gondii ABC1 family protein 0.0031 0.0315 0.2179
Brugia malayi Carboxylesterase family protein 0.0118 0.1573 0.1573
Onchocerca volvulus 0.0031 0.0315 0.02
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0081 0.104 0.104
Brugia malayi Steroid receptor seven-up type 2 0.0081 0.104 0.104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0039 0.0063
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0379
Entamoeba histolytica hypothetical protein 0.0035 0.0375 0.5382
Schistosoma mansoni cellular tumor antigen P53 0.0083 0.1071 0.1071
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0081 0.104 0.1005
Brugia malayi latrophilin 2 splice variant baaae 0.0084 0.1075 0.1075
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0013 0.0056 0.0056
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0038 0.0417 0.0417
Schistosoma mansoni smad1 5 8 and 0.0013 0.0056 0.0056
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.005 0.059 0.2888
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0218 0.0379
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0037 0.0393 0.1854
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0393 0.0689
Schistosoma mansoni microtubule-associated protein tau 0.0679 0.9732 0.9732
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0122 0.1638 0.1605
Loa Loa (eye worm) hypothetical protein 0.0044 0.0497 0.046
Brugia malayi hypothetical protein 0.0043 0.0483 0.0483
Mycobacterium tuberculosis Carboxylesterase LipT 0.0118 0.1573 0.5136
Loa Loa (eye worm) carboxylesterase 0.0698 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0081 0.104 0.104
Schistosoma mansoni lamin 0.0044 0.0497 0.0497
Echinococcus granulosus PHD finger protein rhinoceros 0.0024 0.0206 0.0168
Loa Loa (eye worm) hypothetical protein 0.0039 0.0423 0.0385
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0081 0.104 0.1529
Brugia malayi MH2 domain containing protein 0.0198 0.2736 0.2736
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0017 0.0112 0.0384
Echinococcus multilocularis muscleblind protein 0.0147 0.1997 0.1966
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0039 0.0063
Echinococcus granulosus carboxylesterase 5A 0.0698 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0081 0.104 0.1529
Onchocerca volvulus 0.0118 0.1573 0.2507
Echinococcus granulosus lamin dm0 0.0044 0.0497 0.046
Trypanosoma cruzi target of rapamycin kinase 3 0.0029 0.0284 0.1286
Brugia malayi cytoplasmic intermediate filament protein 0.0023 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0379
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0375 0.0337
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0038 0.0417 0.0379
Echinococcus granulosus FTZ F1 alpha 0.0081 0.104 0.1005
Loa Loa (eye worm) intermediate filament protein 0.0044 0.0497 0.046
Echinococcus multilocularis carboxylesterase 5A 0.0698 1 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0037 0.0398 0.0699
Loa Loa (eye worm) nuclear hormone receptor 0.0038 0.0417 0.0379
Onchocerca volvulus 0.0399 0.566 1
Schistosoma mansoni nuclear receptor nhr-48 0.0038 0.0417 0.0417
Echinococcus granulosus ecdysone induced protein 78C 0.0081 0.104 0.1005
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0037 0.0393 0.1854
Loa Loa (eye worm) hypothetical protein 0.0081 0.104 0.1005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.005 0.0591 0.0591
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0038 0.0417 0.0417
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0379
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0012 0.0039 0.0039
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0081 0.104 0.104
Echinococcus multilocularis GPCR, family 2 0.0039 0.0423 0.0385
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.0483 0.0483
Brugia malayi nuclear hormone receptor family member odr-7 0.0038 0.0417 0.0417
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0031 0.0315 0.0315
Schistosoma mansoni coup transcription factor 0.0081 0.104 0.104
Echinococcus multilocularis muscleblind protein 1 0.0147 0.1997 0.1966
Schistosoma mansoni smad1 5 8 and 0.0013 0.0056 0.0056
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0081 0.104 0.1005
Loa Loa (eye worm) hypothetical protein 0.0081 0.104 0.1005
Schistosoma mansoni intermediate filament proteins 0.0044 0.0497 0.0497
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0351 0.4956 0.4937
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0021 0.0167 0.0129
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0256 0.0448
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0012 0.0039 0.0039
Schistosoma mansoni nuclear receptor 0.0038 0.0417 0.0417
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0081 0.104 0.104
Echinococcus multilocularis peregrin 0.0027 0.0251 0.0213
Loa Loa (eye worm) hypothetical protein 0.0118 0.1573 0.1541
Schistosoma mansoni zinc finger protein 0.0038 0.0417 0.0417
Brugia malayi jmjC domain containing protein 0.0029 0.0279 0.0279
Brugia malayi Carboxylesterase family protein 0.0118 0.1573 0.1573
Loa Loa (eye worm) MH2 domain-containing protein 0.0013 0.0056 0.0017
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0379
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0081 0.104 0.1005
Brugia malayi jmjC domain containing protein 0.0078 0.0992 0.0992
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0037 0.0393 0.0356
Echinococcus granulosus Smad4 0.0013 0.0056 0.0017
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0013 0.0056 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0081 0.104 0.1005
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0144 0.1949 1
Plasmodium vivax SET domain protein, putative 0.005 0.0591 1
Brugia malayi nuclear receptor RXR 0.0043 0.0483 0.0483
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0038 0.0417 0.0379
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0037 0.0393 0.1854
Loa Loa (eye worm) hypothetical protein 0.005 0.0591 0.0554
Loa Loa (eye worm) hypothetical protein 0.0147 0.1997 0.1966
Onchocerca volvulus 0.0038 0.0417 0.0386
Brugia malayi Bromodomain containing protein 0.0027 0.0251 0.0251
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.005 0.059 0.2888
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0118 0.1573 0.5136
Entamoeba histolytica hypothetical protein 0.0035 0.0375 0.5382
Brugia malayi kinase, mitochondrial precursor 0.0144 0.1949 0.1949
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0037 0.0398 0.3848
Loa Loa (eye worm) hypothetical protein 0.0021 0.0167 0.0129
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0037 0.0398 0.5001
Schistosoma mansoni thyroid hormone receptor 0.0081 0.104 0.104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0039 0.0063
Mycobacterium tuberculosis Possible penicillin-binding protein 0.02 0.2765 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0081 0.104 0.1005
Brugia malayi orphan nuclear receptor NR2E1 0.0038 0.0417 0.0417
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0044 0.0497 0.046
Echinococcus granulosus microtubule associated protein 2 0.0679 0.9732 0.9731
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0147 0.0255
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0081 0.104 0.104
Echinococcus multilocularis PHD finger protein rhinoceros 0.0024 0.0206 0.0168
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0379
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0081 0.104 0.104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0179 0.031
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0038 0.0417 0.0379
Echinococcus multilocularis jumonji domain containing protein 0.0033 0.0341 0.0304
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0039 0.0423 0.0385
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0037 0.0393 0.0356
Brugia malayi hypothetical protein 0.0043 0.0483 0.0483
Leishmania major hypothetical protein, conserved 0.0031 0.0315 0.1445
Schistosoma mansoni jumonji/arid domain-containing protein 0.0029 0.0279 0.0279
Loa Loa (eye worm) transcription factor SMAD2 0.0198 0.2736 0.2708
Brugia malayi PHD-finger family protein 0.0024 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0031 0.0315 0.0277
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0039 0.0423 0.0385
Trichomonas vaginalis penicillin-binding protein, putative 0.0031 0.0315 0.0551
Echinococcus multilocularis tumor protein p63 0.0569 0.8134 0.8127
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0039 0.0423 0.0423
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0031 0.0315 0.0277
Loa Loa (eye worm) hypothetical protein 0.0118 0.1573 0.1541
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0037 0.0393 0.0393
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.005 0.059 0.768
Brugia malayi steroid hormone receptor 0.0081 0.104 0.104
Onchocerca volvulus 0.0044 0.0497 0.0534
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0122 0.1638 0.1638
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0175 0.0304
Schistosoma mansoni acetylcholinesterase 0.0118 0.1573 0.1573
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0029 0.0284 0.1286
Loa Loa (eye worm) hypothetical protein 0.0043 0.0485 0.0448
Echinococcus multilocularis BC026374 protein (S09 family) 0.0118 0.1573 0.1541
Echinococcus multilocularis acetylcholinesterase 0.0698 1 1
Echinococcus multilocularis lamin dm0 0.0044 0.0497 0.046
Echinococcus granulosus para nitrobenzyl esterase 0.0118 0.1573 0.1541
Loa Loa (eye worm) hypothetical protein 0.0031 0.0315 0.0277
Loa Loa (eye worm) hypothetical protein 0.0024 0.0206 0.0168
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0315 0.1445
Echinococcus granulosus smad 0.0013 0.0056 0.0017
Brugia malayi MH1 domain containing protein 0.0013 0.0056 0.0056
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0118 0.1573 0.1573
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0058 0.0707 1
Brugia malayi Smad1 0.0013 0.0056 0.0056
Mycobacterium ulcerans carboxylesterase, LipT 0.0118 0.1573 1
Brugia malayi tailless protein 0.0038 0.0417 0.0417
Trichomonas vaginalis spcc417.12 protein, putative 0.0118 0.1573 0.2776
Brugia malayi MH1 domain containing protein 0.0013 0.0056 0.0056
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0015 0.0081 0.0223
Loa Loa (eye worm) steroid hormone receptor 0.0081 0.104 0.1005
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0038 0.0417 0.0379
Echinococcus multilocularis mothers against decapentaplegic 5 0.0013 0.0056 0.0017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0081 0.104 0.1005
Echinococcus granulosus BC026374 protein S09 family 0.0118 0.1573 0.1541
Echinococcus multilocularis beta LACTamase domain containing family member 0.0031 0.0315 0.0277
Loa Loa (eye worm) MH1 domain-containing protein 0.0013 0.0056 0.0017
Echinococcus granulosus Nuclear hormone receptor HR96 0.0038 0.0417 0.0379
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0043 0.0483 0.0483
Loa Loa (eye worm) hypothetical protein 0.0081 0.104 0.1005
Echinococcus granulosus lysine specific demethylase 5A 0.0029 0.0279 0.0241
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0081 0.104 0.1005
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0375 0.0375
Loa Loa (eye worm) hypothetical protein 0.0043 0.0483 0.0446
Loa Loa (eye worm) hypothetical protein 0.0081 0.104 0.1005
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0081 0.104 0.1005
Brugia malayi hypothetical protein 0.0038 0.0417 0.0417
Echinococcus granulosus histone lysine methyltransferase setb 0.005 0.0591 0.0554
Trichomonas vaginalis bromodomain-containing protein, putative 0.0037 0.0398 0.0699
Brugia malayi MH2 domain containing protein 0.0013 0.0056 0.0056
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0147 0.0255
Brugia malayi Nuclear hormone receptor-like 1 0.0081 0.104 0.104
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0591 0.0591
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0038 0.0417 0.0417
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0081 0.104 0.104
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0081 0.104 0.104
Giardia lamblia Histone acetyltransferase GCN5 0.0034 0.0354 0.7899
Loa Loa (eye worm) hypothetical protein 0.0084 0.1075 0.104
Echinococcus multilocularis acetylcholinesterase 0.0698 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0031 0.0315 0.0551
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0037 0.0393 0.1854
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0039 0.0063
Onchocerca volvulus 0.0044 0.0497 0.0534
Echinococcus granulosus thyroid hormone receptor alpha 0.0038 0.0417 0.0379
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0179 0.031
Brugia malayi Nuclear hormone receptor E75 0.0038 0.0417 0.0417
Brugia malayi Carboxylesterase family protein 0.0698 1 1
Brugia malayi acetyltransferase, GNAT family protein 0.0126 0.1691 0.1691
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0126 0.1691 0.1691
Loa Loa (eye worm) hypothetical protein 0.0041 0.0453 0.0416
Loa Loa (eye worm) hypothetical protein 0.0118 0.1573 0.1541
Brugia malayi beta-lactamase 0.0031 0.0315 0.0315
Loa Loa (eye worm) hypothetical protein 0.0031 0.0315 0.0277
Loa Loa (eye worm) hypothetical protein 0.0081 0.104 0.1005
Onchocerca volvulus 0.0118 0.1573 0.2507
Loa Loa (eye worm) latrophilin receptor protein 2 0.0039 0.0423 0.0385
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0256 0.0448
Loa Loa (eye worm) DR-78 0.0038 0.0417 0.0379
Schistosoma mansoni RAR-like nuclear receptor 0.0081 0.104 0.104
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0118 0.1573 0.1573
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0148 0.0256
Loa Loa (eye worm) hypothetical protein 0.0031 0.0315 0.0277
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0118 0.1573 0.5136
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0081 0.104 0.104
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0038 0.0417 0.0379
Giardia lamblia GTOR 0.0037 0.0393 1
Schistosoma mansoni pyruvate dehydrogenase 0.0136 0.1833 0.1833
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0024 0.0206 0.0206
Echinococcus granulosus tumor protein p63 0.0569 0.8134 0.8127
Brugia malayi ecdysone receptor 0.0038 0.0417 0.0417
Onchocerca volvulus 0.0081 0.104 0.1529
Brugia malayi nuclear receptor NHR-67 0.0038 0.0417 0.0417
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0038 0.0417 0.0386
Loa Loa (eye worm) hypothetical protein 0.0118 0.1573 0.1541
Schistosoma mansoni thyroid hormone receptor 0.0081 0.104 0.104
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0081 0.104 0.104
Echinococcus granulosus mothers against decapentaplegic 5 0.0013 0.0056 0.0017
Brugia malayi Intermediate filament tail domain containing protein 0.0044 0.0497 0.0497
Trichomonas vaginalis set domain proteins, putative 0.0399 0.566 1
Loa Loa (eye worm) hypothetical protein 0.0698 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0081 0.104 0.1529
Echinococcus granulosus lamin 0.0044 0.0497 0.046
Schistosoma mansoni pyruvate dehydrogenase 0.0136 0.1833 0.1833
Echinococcus granulosus acetylcholinesterase 0.0698 1 1
Echinococcus granulosus peregrin 0.0027 0.0251 0.0213
Brugia malayi MH2 domain containing protein 0.0013 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0043 0.0483 0.0446
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0037 0.0393 1
Trypanosoma brucei hypothetical protein, conserved 0.0031 0.0315 0.1445
Loa Loa (eye worm) jmjC domain-containing protein 0.0049 0.0574 0.0537
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0048 0.0564 0.0527
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0315 0.0551
Trypanosoma brucei developmentally regulated phosphoprotein 0.0144 0.1949 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0038 0.0417 0.0379
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0031 0.0315 0.0315
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0379
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0379
Brugia malayi photoreceptor-specific nuclear receptor 0.0081 0.104 0.104
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0037 0.0398 0.3848
Onchocerca volvulus 0.0031 0.0315 0.02
Schistosoma mansoni nuclear hormone receptor 0.0081 0.104 0.104
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0043 0.0483 0.0446
Echinococcus multilocularis neuroligin 0.0118 0.1573 0.1541
Trichomonas vaginalis D-aminoacylase, putative 0.0031 0.0315 0.0551
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0379
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0023 0.0201 0.0163
Loa Loa (eye worm) hypothetical protein 0.0118 0.1573 0.1541
Loa Loa (eye worm) MH2 domain-containing protein 0.0198 0.2736 0.2708
Schistosoma mansoni lamin 0.0044 0.0497 0.0497
Echinococcus granulosus TGF beta signal transducer SmadC 0.0013 0.0056 0.0017
Trichomonas vaginalis D-aminoacylase, putative 0.0031 0.0315 0.0551
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0081 0.104 0.104
Echinococcus granulosus GPCR family 2 0.0039 0.0423 0.0385
Entamoeba histolytica hypothetical protein 0.0035 0.0375 0.5382
Echinococcus granulosus histone acetyltransferase KAT2B 0.0037 0.0398 0.0361
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0081 0.104 0.104
Schistosoma mansoni pyruvate dehydrogenase 0.0144 0.1949 0.1949
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0039 0.0423 0.0385
Onchocerca volvulus 0.0031 0.0315 0.02
Brugia malayi beta-lactamase family protein 0.0031 0.0315 0.0315
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0081 0.104 0.1005
Brugia malayi Calcitonin receptor-like protein seb-1 0.0122 0.1638 0.1638
Schistosoma mansoni hypothetical protein 0.0039 0.0423 0.0423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0256 0.0448
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0081 0.104 0.1005
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0147 0.0255
Echinococcus granulosus jumonji domain containing protein 0.0033 0.0341 0.0304
Brugia malayi Nuclear hormone receptor E75 0.0038 0.0417 0.0417
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0037 0.0393 0.1854
Brugia malayi ecdysteroid receptor 0.0081 0.104 0.104
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0144 0.1949 0.1917
Brugia malayi Pre-SET motif family protein 0.005 0.0591 0.0591
Schistosoma mansoni hypothetical protein 0.0039 0.0423 0.0423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0393 0.0689
Echinococcus multilocularis FTZ F1 alpha 0.0081 0.104 0.1005
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0081 0.104 0.1005
Echinococcus multilocularis smad 0.0013 0.0056 0.0017
Echinococcus multilocularis nuclear receptor nhr 48 0.0038 0.0417 0.0379
Schistosoma mansoni jumonji/arid domain-containing protein 0.0029 0.0279 0.0279
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0118 0.1573 0.1541
Loa Loa (eye worm) hypothetical protein 0.0043 0.0483 0.0446
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0315 0.1445
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0284 0.0496
Schistosoma mansoni hypothetical protein 0.0039 0.0423 0.0423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0393 0.0689
Loa Loa (eye worm) hypothetical protein 0.0081 0.104 0.1005
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0081 0.104 0.1005
Echinococcus granulosus intermediate filament protein 0.0044 0.0497 0.046
Mycobacterium leprae conserved hypothetical protein 0.0031 0.0315 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0031 0.0315 0.0551
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0037 0.0393 0.0393
Onchocerca volvulus 0.0118 0.1573 0.2507
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0037 0.0393 0.1854
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0118 0.1573 0.2776
Trichomonas vaginalis esterase, putative 0.0031 0.0315 0.0551
Schistosoma mansoni nuclear hormone receptor 0.0038 0.0417 0.0417
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0081 0.104 0.104
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0039 0.0423 0.0385

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6838 nM BindingDB_Patents: Inhibition Assay. The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the residual PDH activity. For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDHK2 cDNA. Escherichia coli were grown to an optical density 0.6 (600 nmol/L) at 30C. Protein expression was induced by the addition of 500 umol/L isopropyl-beta-thiogalactopyranoside. Escherichia coli were cultured at 30 C. for 5 hr and harvested by centrifugation. Resuspension of the Escherichia coli paste was disrupted by a microfluidizer. FLAG-Tagged protein was separated using FLAG affinity gel (Sigma). The gel was washed with 20 mmol/L N-(2-hydroxyethyl)piperazine-N'-2-ethanesulfonic acid-sodium hydroxide (HEPES-NaOH), 500 mmol/L sodium chloride, 1% ethylene glycol, and 0.1% Pluronic F-68 (pH 8.0), and the binding protein was eluted with 20 mmol/L HEPES. 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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