Detailed information for compound 1321530

Basic information

Technical information
  • TDR Targets ID: 1321530
  • Name: (2-ethoxyphenyl)-[4-[5-(trifluoromethyl)benzo triazol-1-yl]piperidin-1-yl]methanone
  • MW: 418.412 | Formula: C21H21F3N4O2
  • H donors: 0 H acceptors: 3 LogP: 3.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1C(=O)N1CCC(CC1)n1nnc2c1ccc(c2)C(F)(F)F
  • InChi: 1S/C21H21F3N4O2/c1-2-30-19-6-4-3-5-16(19)20(29)27-11-9-15(10-12-27)28-18-8-7-14(21(22,23)24)13-17(18)25-26-28/h3-8,13,15H,2,9-12H2,1H3
  • InChiKey: XBNHIEYGKYZDEG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-ethoxyphenyl)-[4-[5-(trifluoromethyl)benzotriazol-1-yl]-1-piperidyl]methanone
  • (2-ethoxyphenyl)-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]methanone
  • (2-Ethoxy-phenyl)-[4-(5-trifluoromethyl-benzotriazol-1-yl)-piperidin-1-yl]-methanone
  • MLS000122397
  • SMR000119783
  • ZINC01380553
  • ASN 06365016

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0665 0.112
Echinococcus granulosus muscleblind protein 0.0159 0.5156 0.5373
Echinococcus granulosus GPCR family 2 0.0015 0.0211 0.0153
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.9538 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0015 0.019 0.1223
Loa Loa (eye worm) hypothetical protein 0.004 0.1058 0.1109
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0886 0.1494
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0254 0.0199
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0066 0.0069
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.1224 0.2065
Treponema pallidum hypothetical protein 0.0299 1 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.9538 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.019 0.0318
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0299 1 1
Entamoeba histolytica hypothetical protein 0.0073 0.2187 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0299 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2964 0.306
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0152 0.4923 0.5128
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2964 0.306
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0808 0.1362
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0015 0.019 0.0131
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.1058 0.1047
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.2964 0.3108
Schistosoma mansoni hypothetical protein 0.0073 0.2187 0.4367
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0299 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0587 0.0988
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.019 0.0318
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.3688 0.3867
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0066 0.0069
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.1196 0.1193
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0066 0.0069
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.1058 0.1784
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0808 0.1362
Schistosoma mansoni hypothetical protein 0.0015 0.0211 0.0298
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0512 0.0537
Mycobacterium leprae Probable lipase LipE 0.004 0.1058 0.088
Onchocerca volvulus 0.004 0.1058 0.6094
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0066 0.0069
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0254 0.1782
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0254 0.1782
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0069
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0211 0.0221
Leishmania major cytochrome p450-like protein 0.0015 0.0195 0.1263
Loa Loa (eye worm) hypothetical protein 0.0048 0.135 0.1416
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.1224 0.2065
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.1196 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.1058 0.2042
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0891 0.1502
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0015 0.0195 0.1263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.019 0.0318
Loa Loa (eye worm) hypothetical protein 0.0286 0.9538 1
Trichomonas vaginalis rotamase, putative 0.0035 0.0891 0.1502
Schistosoma mansoni cytochrome P450 0.0015 0.0195 0.0266
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.2187 0.2239
Echinococcus multilocularis muscleblind protein 1 0.0159 0.5156 0.5373
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.2187 0.2239
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.1196 0.2516
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.1224 1
Entamoeba histolytica hypothetical protein 0.0073 0.2187 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0578 0.0973
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0066 0.0069
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0034 0.0862 0.709
Brugia malayi Muscleblind-like protein 0.0159 0.5156 0.5373
Schistosoma mansoni hypothetical protein 0.0015 0.0211 0.0298
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.1196 0.2326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.05 0.0841
Loa Loa (eye worm) hypothetical protein 0.004 0.1058 0.1109
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0499 0.0839
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2964 0.5966
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0211 0.0153
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0069
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2964 0.306
Loa Loa (eye worm) beta-lactamase 0.004 0.1058 0.1109
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0211 0.0153
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0211 0.0153
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0254 0.1782
Trichomonas vaginalis conserved hypothetical protein 0.0181 0.5921 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0887 0.7309
Schistosoma mansoni rotamase 0.0035 0.0891 0.1698
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.05 0.0841
Echinococcus granulosus expressed protein 0.0035 0.0891 0.0871
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0089 0.0147
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.1058 0.088
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.1196 0.1193
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.2964 0.306
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.1058 0.1784
Mycobacterium ulcerans beta-lactamase 0.004 0.1058 0.088
Toxoplasma gondii peptidylprolyl isomerase 0.0034 0.0862 0.704
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1196 0.2017
Leishmania major hypothetical protein, conserved 0.004 0.1058 0.8795
Entamoeba histolytica hypothetical protein 0.0073 0.2187 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0069
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0015 0.0195 0.1263
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.135 0.1416
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.1196 0.1193
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0886 0.1494
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0066 0.0069
Trypanosoma brucei hypothetical protein, conserved 0.004 0.1058 0.8795
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0015 0.019 0.1223
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2964 0.5966
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.1575 0.1651
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0512 0.4029
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0015 0.0195 0.1263
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0015 0.019 0.0131
Brugia malayi Cytochrome P450 family protein 0.0015 0.0195 0.0136
Brugia malayi hypothetical protein 0.0286 0.9538 1
Loa Loa (eye worm) hypothetical protein 0.0159 0.5156 0.5405
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0254 0.0199
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.1058 0.1109
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0015 0.0195 0.1263
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.1058 0.1784
Brugia malayi MH2 domain containing protein 0.0116 0.3688 0.3824
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.1196 0.1254
Brugia malayi Cytochrome P450 family protein 0.0055 0.1575 0.1593
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0211 0.0153
Mycobacterium ulcerans lipase LipD 0.004 0.1058 0.088
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0035 0.0891 0.0871
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0034 0.0862 0.709
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.1058 0.088
Trichomonas vaginalis esterase, putative 0.004 0.1058 0.1784
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0254 0.0199
Trichomonas vaginalis rotamase, putative 0.0034 0.0862 0.1454
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1196 0.2017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.019 0.0318
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0069
Brugia malayi Cytochrome P450 family protein 0.0024 0.0512 0.0471
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0254 0.0199
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0035 0.0891 0.0934
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.1058 0.088
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0015 0.0195 0.1263
Mycobacterium ulcerans hypothetical protein 0.004 0.1058 0.088
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.1096 0.0863
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.1058 0.088
Echinococcus multilocularis 0.0015 0.0195 0.0136
Schistosoma mansoni hypothetical protein 0.0015 0.0211 0.0298
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.1058 0.088
Toxoplasma gondii ABC1 family protein 0.004 0.1058 0.8637
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0808 0.1362
Loa Loa (eye worm) hypothetical protein 0.0015 0.0211 0.0221
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0578 0.0973
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0066 0.0069
Brugia malayi beta-lactamase family protein 0.004 0.1058 0.1047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0587 0.0988
Brugia malayi beta-lactamase 0.004 0.1058 0.1047
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.1224 0.0995
Loa Loa (eye worm) hypothetical protein 0.004 0.1058 0.1109
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.1224 0.1223
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0499 0.0839
Loa Loa (eye worm) hypothetical protein 0.0159 0.5156 0.5405
Leishmania major phosphatidylinositol 3-kinase, putative 0.0015 0.019 0.1223
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0254 0.8464 0.8434
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0887 0.7309
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0254 0.0061
Schistosoma mansoni survival motor neuron protein 0.0058 0.1693 0.335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0886 0.1494
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0069
Echinococcus multilocularis muscleblind protein 0.0159 0.5156 0.5373
Brugia malayi Cytochrome P450 family protein 0.0024 0.0512 0.0471
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0254 0.1782
Toxoplasma gondii cytochrome p450 superfamily protein 0.0015 0.0195 0.1579
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.1058 0.088
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0254 0.0199
Loa Loa (eye worm) acetyltransferase 0.0152 0.4923 0.5162
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0015 0.019 0.0131
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1693 0.1718
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0808 0.1362
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0808 0.1362
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0015 0.019 0.1223
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.1196 1
Trypanosoma brucei cytochrome P450, putative 0.0024 0.0512 0.4029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0808 0.1362
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0886 0.1494
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.1058 0.1784
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0152 0.4923 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0211 0.0153
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0066 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0808 0.1362
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0299 1 1
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.0011 0.005 0.0396
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.2187 0.4367
Brugia malayi acetyltransferase, GNAT family protein 0.0152 0.4923 0.5128
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.1196 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0211 0.0153
Giardia lamblia GTOR 0.0044 0.1196 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0254 0.0388
Entamoeba histolytica hypothetical protein 0.0073 0.2187 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.1058 0.8795
Plasmodium vivax hypothetical protein, conserved 0.004 0.1058 0.0824
Schistosoma mansoni hypothetical protein 0.0015 0.0211 0.0298
Mycobacterium leprae conserved hypothetical protein 0.004 0.1058 0.088
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.1058 0.088
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0015 0.019 0.1223
Brugia malayi isocitrate dehydrogenase 0.0017 0.0254 0.0199
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.1058 0.1047
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.1058 0.1047
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0808 0.6595
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0015 0.019 0.1223
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1196 0.2017
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.1196 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.019 0.0318
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0254 0.2066
Leishmania major cytochrome p450-like protein 0.0024 0.0512 0.4029
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.3688 0.3867
Mycobacterium tuberculosis Conserved protein 0.004 0.1058 0.088
Onchocerca volvulus 0.0058 0.1693 1
Brugia malayi beta-lactamase family protein 0.004 0.1058 0.1047
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.1196 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0015 0.019 0.02
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.05 0.0841
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.135 0.1356
Echinococcus granulosus cytochrome P450 2K1 0.0015 0.0195 0.0136
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.1196 1
Onchocerca volvulus 0.004 0.1058 0.6094
Schistosoma mansoni hypothetical protein 0.0015 0.0195 0.0266
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0886 0.1494
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0823 0.0799
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0011 0.005 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0024 0.0512 0.0323
Loa Loa (eye worm) hypothetical protein 0.0033 0.0823 0.0863
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0887 0.7309
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.1196 0.2516
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0254 0.0199
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0254 0.0199
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0254 0.0267
Schistosoma mansoni hypothetical protein 0.0058 0.1693 0.335
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0034 0.0862 0.709
Brugia malayi cytochrome P450 0.0015 0.0195 0.0136
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.1096 0.1762
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0015 0.019 0.0256
Echinococcus multilocularis expressed protein 0.0035 0.0891 0.0871
Loa Loa (eye worm) hypothetical protein 0.004 0.1058 0.1109
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0069
Echinococcus multilocularis GPCR, family 2 0.0015 0.0211 0.0153
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.1058 0.8795
Brugia malayi hypothetical protein 0.0073 0.2187 0.2239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0587 0.0988
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0186 0.6096 0.6366
Mycobacterium tuberculosis Conserved protein 0.004 0.1058 0.088
Loa Loa (eye worm) CYP4Cod1 0.0024 0.0512 0.0537
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0398 0.3039
Mycobacterium tuberculosis Probable hydrolase 0.004 0.1058 0.088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0698 0.1176
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0034 0.0862 0.709
Mycobacterium tuberculosis Conserved protein 0.004 0.1058 0.088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2964 0.5966
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.1058 0.2042
Leishmania major cytochrome p450-like protein 0.0015 0.0195 0.1263
Schistosoma mansoni hypothetical protein 0.0033 0.0823 0.1558
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0974 0.1643
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0243 0.8057 0.8447
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.05 0.0841
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.1058 0.088
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.135 0.1356
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0512 0.0537
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0512 0.4029
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0254 0.2066
Loa Loa (eye worm) cytochrome P450 0.0015 0.0195 0.0204
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0018 0.0311 0.2279
Loa Loa (eye worm) hypothetical protein 0.004 0.1058 0.1109
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0069
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.1224 1
Brugia malayi follicle stimulating hormone receptor 0.0243 0.8057 0.8436
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0499 0.0839
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0254 0.1782
Loa Loa (eye worm) hypothetical protein 0.004 0.1058 0.1109
Loa Loa (eye worm) hypothetical protein 0.0186 0.6096 0.6391
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.1058 0.1784
Echinococcus granulosus histone acetyltransferase KAT2B 0.0148 0.4776 0.4973
Onchocerca volvulus 0.004 0.1058 0.6094
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2964 0.306

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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