Detailed information for compound 339514

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 469.419 | Formula: C24H21F6NO2
  • H donors: 2 H acceptors: 1 LogP: 5.37 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)CNCc1ccccc1OCc1ccccc1
  • InChi: 1S/C24H21F6NO2/c25-23(26,27)19-10-18(11-20(12-19)24(28,29)30)21(32)14-31-13-17-8-4-5-9-22(17)33-15-16-6-2-1-3-7-16/h1-12,21,31-32H,13-15H2
  • InChiKey: REPLYXLKVPFGQG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Staphylococcus aureus Phenylalanyl-tRNA synthetase alpha chain Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative Get druggable targets OG5_127036 All targets in OG5_127036
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative Get druggable targets OG5_127036 All targets in OG5_127036
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS Get druggable targets OG5_127036 All targets in OG5_127036
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B Get druggable targets OG5_127036 All targets in OG5_127036
Candida albicans phenylalanyl-tRNA synthetase Get druggable targets OG5_127036 All targets in OG5_127036
Schistosoma japonicum ko:K01889 phenylalanyl-tRNA synthetase alpha chain [EC6.1.1.20A], putative Get druggable targets OG5_127036 All targets in OG5_127036
Plasmodium berghei phenylalanine--tRNA ligase alpha subunit, putative Get druggable targets OG5_127036 All targets in OG5_127036
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative Get druggable targets OG5_127036 All targets in OG5_127036
Trypanosoma congolense phenylalanyl-tRNA synthetase alpha chain, putative Get druggable targets OG5_127036 All targets in OG5_127036
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127036 All targets in OG5_127036
Trypanosoma brucei gambiense phenylalanyl-tRNA synthetase alpha chain, putative Get druggable targets OG5_127036 All targets in OG5_127036
Neospora caninum hypothetical protein Get druggable targets OG5_127036 All targets in OG5_127036
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B Get druggable targets OG5_127036 All targets in OG5_127036
Leishmania infantum phenylalanyl-tRNA synthetase alpha chain, putative Get druggable targets OG5_127036 All targets in OG5_127036
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha Get druggable targets OG5_127036 All targets in OG5_127036
Cryptosporidium hominis phenylalanyl-trna synthetase-like protein Get druggable targets OG5_127036 All targets in OG5_127036
Plasmodium knowlesi phenylalanine--tRNA ligase alpha subunit, putative Get druggable targets OG5_127036 All targets in OG5_127036
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha Get druggable targets OG5_127036 All targets in OG5_127036
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative Get druggable targets OG5_127036 All targets in OG5_127036
Chlamydia trachomatis phenylalanine--tRNA ligase subunit alpha Get druggable targets OG5_127036 All targets in OG5_127036
Babesia bovis phenylalanyl-tRNA synthetase family protein Get druggable targets OG5_127036 All targets in OG5_127036
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative Get druggable targets OG5_127036 All targets in OG5_127036
Theileria parva phenylalanyl-tRNA synthetase alpha chain, putative Get druggable targets OG5_127036 All targets in OG5_127036
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain Get druggable targets OG5_127036 All targets in OG5_127036
Plasmodium yoelii phenylalanyl-tRNA synthetase, putative Get druggable targets OG5_127036 All targets in OG5_127036
Leishmania braziliensis phenylalanyl-tRNA synthetase alpha chain, putative Get druggable targets OG5_127036 All targets in OG5_127036
Leishmania mexicana phenylalanyl-tRNA synthetase alpha chain, putative Get druggable targets OG5_127036 All targets in OG5_127036
Leishmania donovani phenylalanyl-tRNA synthetase alpha chain, putative Get druggable targets OG5_127036 All targets in OG5_127036
Candida albicans phenylalanyl-tRNA synthetase Get druggable targets OG5_127036 All targets in OG5_127036
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative Get druggable targets OG5_127036 All targets in OG5_127036
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit Get druggable targets OG5_127036 All targets in OG5_127036
Brugia malayi phenylalanyl (f) trna synthetase protein 1 Get druggable targets OG5_127036 All targets in OG5_127036
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha Get druggable targets OG5_127036 All targets in OG5_127036
Cryptosporidium parvum putative phenylalanyl-tRNA synthetase Get druggable targets OG5_127036 All targets in OG5_127036
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative Get druggable targets OG5_127036 All targets in OG5_127036
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS Get druggable targets OG5_127036 All targets in OG5_127036
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha Get druggable targets OG5_127036 All targets in OG5_127036
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Presenilins-associated rhomboid-like protein, mitochondrial homolog Phenylalanyl-tRNA synthetase alpha chain   352 aa 396 aa 25.0 %
Theileria parva phenylalanyl-tRNA synthetase, putative Phenylalanyl-tRNA synthetase alpha chain   352 aa 315 aa 24.4 %
Babesia bovis phenylalanine-tRNA ligase, putative Phenylalanyl-tRNA synthetase alpha chain   352 aa 359 aa 24.8 %
Candida albicans phenylalanine--tRNA ligase Phenylalanyl-tRNA synthetase alpha chain   352 aa 314 aa 27.1 %
Echinococcus granulosus phenylalanyl tRNA synthetase Phenylalanyl-tRNA synthetase alpha chain   352 aa 291 aa 29.6 %
Echinococcus multilocularis phenylalanyl tRNA synthetase Phenylalanyl-tRNA synthetase alpha chain   352 aa 315 aa 28.3 %
Candida albicans phenylalanine--tRNA ligase Phenylalanyl-tRNA synthetase alpha chain   352 aa 314 aa 27.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.001 0.0021 0.0021
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0044 0.0044
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0027 0.0234 0.024
Echinococcus multilocularis sodium and chloride dependent glycine 0.0051 0.0542 0.0542
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0653 0.0832
Onchocerca volvulus 0.0012 0.0044 0.0203
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0088 0.1021 1
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0026 0.0222 0.0222
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0096 0.1113 0.1113
Echinococcus granulosus uncharacterized sodium dependent transporter 0.001 0.0021 0.0021
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0044 0.0044
Echinococcus multilocularis mitogen activated protein kinase 0.0049 0.0526 0.0526
Echinococcus granulosus neuropeptide receptor A26 0.0535 0.6706 0.6706
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0162 0.1962 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.001 0.0021 0.0021
Echinococcus multilocularis geminin 0.0181 0.2205 0.2205
Brugia malayi CXXC zinc finger family protein 0.0033 0.0316 0.1519
Schistosoma mansoni hypothetical protein 0.0051 0.0549 0.0549
Echinococcus granulosus sodium and chloride dependent glycine 0.0051 0.0542 0.0542
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0026 0.0222 0.0222
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0352 0.3309
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.1189 0.1189
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.001 0.0021 0.0021
Chlamydia trachomatis phenylalanine--tRNA ligase subunit alpha 0.0422 0.5265 1
Loa Loa (eye worm) CYP4Cod1 0.0027 0.0234 0.1098
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0646 0.0646
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0027 0.0234 0.024
Entamoeba histolytica hypothetical protein 0.0039 0.0386 0.1887
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0352 0.0227
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.0653 0.1051
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0088 0.1021 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.0044 0.0114
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0111 0.0461
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0027 0.0234 0.024
Echinococcus granulosus sodium and chloride dependent glycine 0.0051 0.0542 0.0542
Echinococcus granulosus mitogen activated protein kinase 3 0.0049 0.0526 0.0526
Echinococcus granulosus mitogen activated protein kinase 0.0049 0.0526 0.0526
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0111 0.0111
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0234 0.1357
Schistosoma mansoni sodium/chloride dependent transporter 0.001 0.0021 0.0021
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0692 0.6708
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0044 0.0114
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0027 0.0234 0.024
Schistosoma mansoni hypothetical protein 0.0181 0.2205 0.2205
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0051 0.0549 0.0549
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0526 0.3801
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0044 0.0114
Brugia malayi Cytochrome P450 family protein 0.0067 0.075 0.3754
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0027 0.0238 0.2166
Toxoplasma gondii cytochrome p450 superfamily protein 0.0027 0.0234 0.213
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0044 0.0044
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0044 0.0203
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0049 0.0526 0.5043
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0646 0.0646
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0316 0.1519
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0044 0.0044
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0557 0.2762
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0111 0.0461
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0646 0.0646
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.001 0.0021 0.0021
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0111 0.0111
Schistosoma mansoni sodium-dependent amino acid transporter 0.001 0.0021 0.0021
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0049 0.0526 0.4555
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0088 0.1021 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.1189 0.1189
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0111 0.0895
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0044 0.0114
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.001 0.0021 0.0021
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0027 0.0234 0.024
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0044 0.0044
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0653 0.0653
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0063 0.0695 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0111 0.0111
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0027 0.0238 0.2166
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0044 0.0044
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0044 0.0044
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.1189 0.1189
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0114
Trypanosoma brucei protein kinase, putative 0.0049 0.0526 0.4555
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0352 0.0352
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0352 0.1634
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0352 0.2652
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0114
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0044 0.0114
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.001 0.0021 0.0021
Brugia malayi Calcitonin receptor-like protein seb-1 0.0162 0.1962 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0526 0.3801
Entamoeba histolytica hypothetical protein 0.0039 0.0386 0.1887
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0044 0.0044
Echinococcus multilocularis serotonin transporter 0.001 0.0021 0.0021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0044 0.0114
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0088 0.1021 0.1021
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.001 0.0021 0.0021
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.0549 0.0549
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.0526 0.4555
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0096 0.1113 0.5626
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0026 0.0026
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0111 0.0111
Schistosoma mansoni cytochrome P450 0.0027 0.0234 0.0234
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0088 0.1021 0.1021
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0352 0.0234
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0352 0.2652
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0088 0.1021 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0646 0.0819
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0088 0.1021 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0051 0.0542 0.0542
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.0549 0.2721
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0111 0.0895
Echinococcus multilocularis neuropeptide receptor A26 0.0535 0.6706 0.6706
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0088 0.1021 1
Schistosoma mansoni hypothetical protein 0.0039 0.0386 0.0386
Leishmania major cytochrome p450-like protein 0.0027 0.0234 0.1357
Brugia malayi ecdysteroid receptor 0.0012 0.0044 0.0114
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.001 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0051 0.0549 0.2721
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0114
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0027 0.0238 0.0247
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0027 0.0234 0.024
Loa Loa (eye worm) histone methyltransferase 0.001 0.0026 0.0022
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0044 0.0044
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0653 0.0653
Brugia malayi Inositol-1 0.0036 0.0352 0.1706
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0044 0.0044
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0111 0.0111
Brugia malayi Cytochrome P450 family protein 0.0027 0.0234 0.1098
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.0422 0.5265 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0027 0.0234 0.024
Echinococcus granulosus cytochrome P450 2K1 0.0027 0.0234 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0044 0.0114
Echinococcus multilocularis cpg binding protein 0.0035 0.034 0.034
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0044 0.0114
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0027 0.0234 0.1357
Loa Loa (eye worm) inositol-1 0.0036 0.0352 0.1706
Loa Loa (eye worm) hypothetical protein 0.0051 0.0542 0.2682
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0646 0.1039
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.001 0.0021 0.0021
Brugia malayi nuclear hormone receptor 0.0012 0.0044 0.0114
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.0653 0.5951
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0114
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.001 0.0021 0.0021
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.0653 0.0653
Echinococcus multilocularis mitogen activated protein kinase 3 0.0049 0.0526 0.0526
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.0422 0.5265 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0111 0.0111
Schistosoma mansoni cpg binding protein 0.0035 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0111 0.1308 0.6631
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0027 0.0234 0.024
Echinococcus multilocularis dnaJ subfamily B 0.047 0.5885 0.5885
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0044 0.0044
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0162 0.1962 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0027 0.0234 0.024
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0027 0.0234 0.024
Schistosoma mansoni cpg binding protein 0.0035 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0162 0.1962 1
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0088 0.1021 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0044 0.0114
Schistosoma mansoni inositol monophosphatase 0.0036 0.0352 0.0352
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0044 0.0114
Loa Loa (eye worm) hypothetical protein 0.0088 0.1021 0.5154
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0304 0.0376
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.001 0.0021 0.0021
Schistosoma mansoni hypothetical protein 0.0027 0.0234 0.0234
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0526 0.0526
Echinococcus granulosus neuropeptide s receptor 0.0535 0.6706 0.6706
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.0549 0.2721
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0044 0.0114
Schistosoma mansoni coup transcription factor 0.0012 0.0044 0.0044
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0044 0.0044
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0234 0.1098
Schistosoma mansoni hypothetical protein 0.0051 0.0549 0.0549
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.1189 0.1189
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0044 0.0114
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0027 0.0234 0.024
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.0526 0.4555
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0044 0.0044
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0044 0.0044
Echinococcus granulosus GPCR family 2 0.0051 0.0549 0.0549
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0044 0.0044
Echinococcus multilocularis L aminoadipate semialdehyde 0.0096 0.1113 0.1113
Echinococcus granulosus cpg binding protein 0.0035 0.034 0.034
Schistosoma mansoni hypothetical protein 0.0051 0.0549 0.0549
Mycobacterium leprae conserved hypothetical protein 0.0027 0.0238 0.0077
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0027 0.0234 0.024
Echinococcus granulosus serotonin transporter 0.001 0.0021 0.0021
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0051 0.0542 0.2682
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.001 0.0021 0.0021
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0111 0.0895
Trypanosoma brucei cytochrome P450, putative 0.0027 0.0234 0.1357
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0027 0.0234 0.024
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0026 0.0222 0.1032
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.047 0.5885 0.5885
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0027 0.0234 0.024
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0526 0.3801
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0044 0.0044
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0044 0.0044
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0049 0.0526 0.4555
Brugia malayi latrophilin 2 splice variant baaae 0.0111 0.1308 0.6631
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0049 0.0526 0.4555
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0026 0.0222 0.0222
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0044 0.0114
Loa Loa (eye worm) hypothetical protein 0.0051 0.0542 0.2682
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0026 0.0026
Echinococcus granulosus dnaJ subfamily B 0.047 0.5885 0.5885
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0088 0.1021 0.5154
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0044 0.0114
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0027 0.0238 0.0007
Brugia malayi isocitrate dehydrogenase 0.0017 0.0111 0.0461
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0653 0.3254
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0044 0.0203
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0088 0.1021 1
Entamoeba histolytica hypothetical protein 0.0039 0.0386 0.1887
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.001 0.0021 0.0021
Echinococcus granulosus L aminoadipate semialdehyde 0.0096 0.1113 0.1113
Leishmania major phosphopantetheinyl transferase-like protein 0.0027 0.0238 0.1396
Echinococcus multilocularis 0.0027 0.0234 0.0234
Brugia malayi Cytochrome P450 family protein 0.0027 0.0234 0.1098
Echinococcus multilocularis microtubule associated protein 2 0.0794 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0234 0.1357
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0027 0.0238 0.0413
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0422 0.5265 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0181 0.2205 0.2205
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0111 0.0895
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0088 0.1021 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0044 0.0114
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0646 0.0819
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0114
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0646 0.0819
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0027 0.0234 0.024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0044 0.0114
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0526 0.3801
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0027 0.0234 0.1357
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.1189 0.1189
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0096 0.1113 0.5626
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0088 0.1021 0.1021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0044 0.0114
Trypanosoma brucei hypothetical protein, conserved 0.0027 0.0238 0.1396
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0027 0.0238 0.0007
Schistosoma mansoni sodium/chloride dependent transporter 0.0051 0.0547 0.0547
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0044 0.0044
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0044 0.0044
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0026 0.0222 0.0222
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0044 0.0044
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0304 0.152
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0646 0.625
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0114
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0111 0.0111
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.1189 0.1189
Echinococcus multilocularis sodium and chloride dependent glycine 0.0051 0.0542 0.0542
Onchocerca volvulus 0.0096 0.1113 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0044 0.0114
Loa Loa (eye worm) cytochrome P450 0.0027 0.0234 0.1098
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0027 0.0234 0.024
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0653 0.0832
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0352 0.2652
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0044 0.0044
Schistosoma mansoni mixed-lineage leukemia protein mll 0.007 0.0788 0.0788
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0646 0.0646
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0044 0.0114
Brugia malayi Latrophilin receptor protein 2 0.0051 0.0549 0.2721
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0051 0.0542 0.2682
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0027 0.0238 0.2166
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0352 0.146
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0386 0.0386
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.075 0.3754
Schistosoma mansoni hypothetical protein 0.0111 0.1308 0.1308
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0027 0.0234 0.024
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0352 0.1634
Schistosoma mansoni inositol monophosphatase 0.0036 0.0352 0.0352
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0386 0.0386
Brugia malayi hypothetical protein 0.0039 0.0386 0.1878
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0102 0.1189 0.6016
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.0549 0.0549
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.0549 0.0549
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0027 0.0238 0.2166
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0114
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0027 0.0234 0.024
Plasmodium falciparum phenylalanine--tRNA ligase 0.0026 0.0222 0.2003
Brugia malayi Cytochrome P450 family protein 0.0027 0.0234 0.1098
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0044 0.0114
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0352 0.0352
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0102 0.1189 0.6016
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.001 0.0021 0.0021
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0049 0.0526 0.2599
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0044 0.0044
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0044 0.0044
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0027 0.0234 0.024
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0026 0.0222 0.2003
Brugia malayi MAP kinase sur-1 0.0049 0.0526 0.2599
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0044 0.0044
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0024 0.0014
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0026 0.0222 0.1032
Echinococcus multilocularis neuropeptide s receptor 0.0535 0.6706 0.6706
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0044 0.0114
Schistosoma mansoni cpg binding protein 0.0033 0.0316 0.0316
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0114
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0386 0.0386
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.001 0.0021 0.0021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.1189 0.1189
Brugia malayi steroid hormone receptor 0.0012 0.0044 0.0114
Plasmodium falciparum phenylalanine--tRNA ligase 0.0026 0.0222 0.2003
Brugia malayi cytochrome P450 0.0027 0.0234 0.1098
Echinococcus granulosus geminin 0.0181 0.2205 0.2205
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0027 0.0234 0.1357
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0027 0.0234 0.1357
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0044 0.0114
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0044 0.0203
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0234 0.1098
Leishmania major cytochrome p450-like protein 0.0027 0.0234 0.1357
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0088 0.1021 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0049 0.0526 0.4555
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0026 0.0222 0.2003
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0044 0.0114
Echinococcus multilocularis GPCR, family 2 0.0051 0.0549 0.0549
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0026 0.0222 0.2003
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0044 0.0044
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0044 0.0044
Entamoeba histolytica hypothetical protein 0.0039 0.0386 0.1887
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0044 0.0114
Leishmania major cytochrome p450-like protein 0.0027 0.0234 0.1357
Schistosoma mansoni microtubule-associated protein tau 0.0794 1 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0027 0.0234 0.024
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0352 0.1634
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0646 0.5882
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0027 0.0234 0.1357
Onchocerca volvulus 0.0033 0.0316 0.27
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0027 0.0238 0.2166
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0049 0.0526 0.4555
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0044 0.0114
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.0549 0.0549
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0352 0.2652

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10000 nM Inhibitory concentration against Staphylococcus aureus Phenylalanyl-tRNA synthetase ChEMBL. 15837314
IC50 (binding) > 10000 nM Inhibitory concentration against Staphylococcus aureus Phenylalanyl-tRNA synthetase ChEMBL. 15837314
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) = 3 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 4.23 % 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) = 8.75 % 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) = 10.87 % 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) = 99 % 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) = 5.98 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 3 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 3 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 99 % 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) = 6.87 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.13372 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.
 
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External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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