Detailed information for compound 69842

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 391.867 | Formula: C20H23ClFN3O2
  • H donors: 2 H acceptors: 1 LogP: 3.11 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(N)c(cc1NC(=O)C1CCN(CC1)Cc1ccccc1F)Cl
  • InChi: 1S/C20H23ClFN3O2/c1-27-19-11-17(23)15(21)10-18(19)24-20(26)13-6-8-25(9-7-13)12-14-4-2-3-5-16(14)22/h2-5,10-11,13H,6-9,12,23H2,1H3,(H,24,26)
  • InChiKey: KJPCKBJGPWEHBH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii methionyl-tRNA synthetase 0.0062 0.0071 0.0109
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0073 0.0093 0.008
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0073 0.0093 0.0145
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.1446 0.2788 0.2778
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0073 0.0093 0.0083
Toxoplasma gondii leucyl-tRNA synthetase (LeuRS2) 0.0064 0.0076 0.0117
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0093 0.0083
Schistosoma mansoni valine-tRNA ligase 0.0064 0.0076 0.1268
Plasmodium falciparum methionine--tRNA ligase 0.0046 0.0041 0.1332
Plasmodium vivax methionine--tRNA ligase, putative 0.0046 0.0041 0.1332
Treponema pallidum threonyl-tRNA synthetase 0.0054 0.0057 0.0841
Schistosoma mansoni glycyl-tRNA synthetase 0.0168 0.0279 0.4671
Schistosoma mansoni leucyl-tRNA synthetase 0.0111 0.0167 0.2793
Wolbachia endosymbiont of Brugia malayi formamidopyrimidine-DNA glycosylase 0.0106 0.0158 0.4996
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0073 0.0093 0.306
Echinococcus multilocularis glycyl tRNA synthetase 0.0168 0.0279 0.4571
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0652 0.1231 0.1221
Entamoeba histolytica acyl-CoA synthetase, putative 0.0086 0.0119 0.1989
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0073 0.0093 0.008
Trypanosoma brucei leucyl-tRNA synthetase, putative 0.0064 0.0076 0.2198
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0118 0.0182 0.0171
Onchocerca volvulus 0.0143 0.023 1
Plasmodium falciparum threonine--tRNA ligase 0.0054 0.0057 0.185
Leishmania major acetyl-CoA synthetase, putative 0.0073 0.0093 0.2799
Brugia malayi AMP-binding enzyme family protein 0.0073 0.0093 0.1524
Loa Loa (eye worm) hypothetical protein 0.0073 0.0093 0.1791
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0058 0.0875
Loa Loa (eye worm) hypothetical protein 0.0073 0.0093 0.1791
Echinococcus granulosus leucyl tRNA synthetase 0.0085 0.0117 0.1809
Trichomonas vaginalis isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.0039 0.0025 0.083
Entamoeba histolytica acyl-CoA synthetase, putative 0.0073 0.0093 0.1524
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0093 0.0083
Echinococcus multilocularis Threonyl tRNA synthetase, C 0.0062 0.0071 0.1021
Leishmania major valyl-tRNA synthetase, putative 0.0064 0.0076 0.2198
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0111 0.0167 0.5292
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0168 0.0279 0.4958
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0086 0.0119 0.0106
Brugia malayi methionyl-tRNA synthetase 0.0307 0.0552 1
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0046 0.0041 0.003
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0093 0.0083
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0062 0.0071 0.2321
Mycobacterium tuberculosis Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase) 0.0054 0.0057 0.0043
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.3319 0.6466 0.6462
Onchocerca volvulus 0.0118 0.0182 0.7675
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0073 0.0093 0.0124
Toxoplasma gondii isoleucyl-tRNA synthetase, putative 0.0064 0.0076 0.0117
Schistosoma mansoni methionine-tRNA synthetase 0.033 0.0598 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0073 0.0093 0.1791
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0073 0.0093 0.2799
Giardia lamblia Isoleucyl-tRNA synthetase 0.0181 0.0306 1
Leishmania major leucyl-tRNA synthetase, putative 0.0111 0.0167 0.5292
Echinococcus multilocularis isoleucyl tRNA synthetase, cytoplasmic 0.0181 0.0306 0.502
Schistosoma mansoni isoleucine--tRNA ligase 0.0181 0.0306 0.5112
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0046 0.0041 0.0043
Leishmania major threonyl-tRNA synthetase, putative 0.0062 0.0071 0.2033
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0046 0.0041 0.1332
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0025 0.0803
Onchocerca volvulus 0.0073 0.0093 0.3333
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0073 0.0093 0.0083
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.0093 0.2799
Toxoplasma gondii leucyl-tRNA synthetase 0.0064 0.0076 0.0117
Echinococcus multilocularis methionine tRNA synthetase 0.0046 0.0041 0.0506
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0118 0.0182 0.0169
Trypanosoma brucei threonyl-tRNA synthetase, putative 0.0062 0.0071 0.2033
Echinococcus granulosus methionine tRNA synthetase 0.0046 0.0041 0.0506
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0073 0.0093 0.008
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0073 0.0093 0.0124
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0046 0.0041 0.1008
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0093 0.0083
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0073 0.0093 0.2799
Mycobacterium tuberculosis Possible DNA glycosylase 0.0106 0.0158 0.0145
Loa Loa (eye worm) oxidoreductase 0.0073 0.0093 0.1791
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0093 0.0083
Toxoplasma gondii tRNA ligases class I (M) protein 0.0046 0.0041 0.0063
Echinococcus granulosus glycyl tRNA synthetase 0.0168 0.0279 0.4571
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0181 0.0306 1
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0046 0.0041 0.1008
Mycobacterium ulcerans acetyl-CoA synthetase 0.0073 0.0093 0.0083
Trypanosoma brucei isoleucyl-tRNA synthetase, putative 0.0181 0.0306 1
Entamoeba histolytica leucyl-tRNA synthetase, putative 0.0064 0.0076 0.1197
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0093 0.0083
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0046 0.0041 0.078
Plasmodium falciparum arginine--tRNA ligase 0.0031 0.0011 0.0361
Echinococcus multilocularis valyl tRNA synthetase 0.0064 0.0076 0.1103
Mycobacterium tuberculosis Conserved protein 0.0038 0.0025 0.0011
Schistosoma mansoni isoleucine--tRNA ligase 0.0181 0.0306 0.5112
Toxoplasma gondii valyl-tRNA synthetase 0.0064 0.0076 0.0117
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0064 0.0076 0.248
Brugia malayi methionyl-tRNA synthetase 0.0046 0.0041 0.0549
Trichomonas vaginalis antibiotic synthetase, putative 0.0073 0.0093 0.306
Leishmania major isoleucyl-tRNA synthetase, putative 0.0181 0.0306 1
Brugia malayi valyl-tRNA synthetase family protein 0.0064 0.0076 0.1197
Loa Loa (eye worm) hypothetical protein 0.0143 0.023 0.4403
Toxoplasma gondii threonyl-tRNA synthetase family protein 0.0054 0.0057 0.0087
Loa Loa (eye worm) hypothetical protein 0.0039 0.0025 0.0486
Loa Loa (eye worm) hypothetical protein 0.0085 0.0116 0.2232
Toxoplasma gondii propionate-CoA ligase 0.0073 0.0093 0.0145
Plasmodium falciparum valine--tRNA ligase, putative 0.0064 0.0076 0.248
Treponema pallidum methionyl-tRNA synthetase 0.0307 0.0552 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.0306 0.5855
Echinococcus multilocularis leucyl tRNA synthetase 0.0111 0.0167 0.2657
Leishmania major methionyl-tRNA synthetase, putative 0.0046 0.0041 0.1008
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0073 0.0093 0.0083
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0118 0.0182 0.0169
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0093 0.0083
Wolbachia endosymbiont of Brugia malayi threonyl-tRNA synthetase 0.0054 0.0057 0.1545
Echinococcus granulosus Threonyl tRNA synthetase C 0.0062 0.0071 0.1021
Brugia malayi protein ZK524.3 0.0072 0.0091 0.1481
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0064 0.0076 0.248
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.033 0.0598 1
Loa Loa (eye worm) isoleucyl-tRNA synthetase 0.0181 0.0306 0.5855
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.3319 0.6466 1
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0307 0.0552 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0073 0.0093 0.0124
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0073 0.0093 0.306
Trichomonas vaginalis conserved hypothetical protein 0.0026 0 0.001
Onchocerca volvulus 0.0118 0.0182 0.7675
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0155 0.0253 0.4855
Treponema pallidum isoleucyl-tRNA synthetase 0.0181 0.0306 0.5446
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0073 0.0093 0.0145
Mycobacterium tuberculosis Hypothetical protein 0.0038 0.0025 0.0011
Mycobacterium tuberculosis Isoleucyl-tRNA synthetase IleS 0.0117 0.0179 0.0166
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0171 0.0284 0.9307
Trypanosoma cruzi arginyl-tRNA synthetase, putative 0.0031 0.0011 0.0361
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0093 0.0083
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0085 0.0116 0.0106
Mycobacterium ulcerans polyketide synthase associated protein PapA3 0.0032 0.0013 0.0002
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0073 0.0093 0.0083
Plasmodium falciparum methionine--tRNA ligase, putative 0.0046 0.0041 0.1332
Toxoplasma gondii pantoate-beta-alanine ligase 0.3319 0.6466 1
Giardia lamblia Threonyl-tRNA synthetase 0.0054 0.0057 0.1138
Plasmodium vivax threonine--tRNA ligase, putative 0.0054 0.0057 0.185
Chlamydia trachomatis isoleucine--tRNA ligase 0.0181 0.0306 0.502
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0073 0.0093 0.008
Mycobacterium ulcerans isoleucyl-tRNA synthetase 0.0181 0.0306 0.0295
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0039 0.0025 0.083
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0073 0.0093 0.008
Trichomonas vaginalis valyl-tRNA synthetase, putative 0.0039 0.0025 0.083
Toxoplasma gondii tRNA synthetase, putative 0.0064 0.0076 0.0117
Treponema pallidum leucyl-tRNA synthetase 0.0085 0.0116 0.195
Schistosoma mansoni acetyl-CoA synthetase 0.0073 0.0093 0.1564
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0093 0.0083
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0086 0.0119 0.0163
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0073 0.0093 0.306
Chlamydia trachomatis valine--tRNA ligase 0.0064 0.0076 0.1103
Loa Loa (eye worm) hypothetical protein 0.0064 0.0076 0.1452
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0118 0.0182 0.0169
Leishmania major hypothetical protein, conserved 0.0038 0.0025 0.0458
Mycobacterium ulcerans valyl-tRNA synthetase 0.0064 0.0076 0.0065
Brugia malayi AMP-binding enzyme family protein 0.0073 0.0093 0.1524
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0073 0.0093 0.306
Entamoeba histolytica valyl tRNA synthetase, putative 0.0064 0.0076 0.1197
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.033 0.0598 1
Giardia lamblia Methionyl-tRNA synthetase 0.0046 0.0041 0.0576
Plasmodium vivax acetyl-CoA synthetase, putative 0.0073 0.0093 0.306
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0073 0.0093 0.1405
Chlamydia trachomatis threonine--tRNA ligase 0.0062 0.0071 0.1021
Echinococcus multilocularis leucyl tRNA synthetase 0.0064 0.0076 0.1103
Mycobacterium leprae Probable cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.1446 0.2788 0.4299
Entamoeba histolytica isoleucyl-tRNA synthetase, putative 0.0181 0.0306 0.5446
Brugia malayi AMP-binding enzyme family protein 0.0118 0.0182 0.3166
Giardia lamblia Valine-tRNA ligase 0.0064 0.0076 0.1823
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0073 0.0093 0.008
Brugia malayi glycyl-tRNA synthetase 0.0168 0.0279 0.4958
Brugia malayi threonyl-tRNA synthetase, cytoplasmic 0.0062 0.0071 0.1107
Loa Loa (eye worm) hypothetical protein 0.0073 0.0093 0.1791
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0045 0.0038 0.0039
Chlamydia trachomatis leucine--tRNA ligase 0.0085 0.0116 0.1797
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.1446 0.2788 0.278
Mycobacterium leprae Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA GLYCOSYLASE) 0.0106 0.0158 0.0225
Entamoeba histolytica valyl-tRNA synthetase, putative 0.0064 0.0076 0.1197
Loa Loa (eye worm) threonyl-tRNA synthetase 0.0062 0.0071 0.1359
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0118 0.0182 0.3492
Trypanosoma cruzi isoleucyl-tRNA synthetase, putative 0.0181 0.0306 1
Brugia malayi Valyl-tRNA synthetase 0.0064 0.0076 0.1197
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0062 0.0071 0.2321
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.0093 0.2799
Loa Loa (eye worm) glycyl-tRNA synthetase 0.0168 0.0279 0.5349
Plasmodium vivax arginyl-tRNA synthetase, putative 0.0031 0.0011 0.0361
Mycobacterium leprae Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase) 0.0054 0.0057 0.0067
Echinococcus multilocularis isoleucyl tRNA synthetase, mitochondrial 0.0143 0.023 0.3729
Mycobacterium tuberculosis Probable valyl-tRNA synthase protein ValS (valyl-tRNA synthetase) (valine--tRNA ligase) (valine translase) 0.0064 0.0076 0.0063
Schistosoma mansoni methyltransferase-related 0.0038 0.0025 0.0411
Leishmania major acetyl-CoA synthetase, putative 0.0073 0.0093 0.2799
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0106 0.0158 0.0147
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0118 0.0182 0.0171
Brugia malayi AMP-binding enzyme family protein 0.0073 0.0093 0.1524
Brugia malayi Methyltransferase-like protein 4 0.0038 0.0025 0.025
Brugia malayi isoleucyl-tRNA synthetase 0.0181 0.0306 0.5446
Echinococcus granulosus valyl tRNA synthetase 0.0064 0.0076 0.1103
Schistosoma mansoni valine-tRNA ligase 0.0064 0.0076 0.1268
Trichomonas vaginalis threonyl-tRNA synthetase, putative 0.0054 0.0057 0.185
Plasmodium falciparum leucine--tRNA ligase, putative 0.0064 0.0076 0.248
Plasmodium vivax isoleucine--tRNA ligase, putative 0.0181 0.0306 1
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0073 0.0093 0.1524
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0045 0.0038 0.0027
Brugia malayi AMP-binding enzyme family protein 0.0073 0.0093 0.1524
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0073 0.0093 0.1524
Trypanosoma cruzi leucyl-tRNA synthetase, putative 0.0064 0.0076 0.248
Entamoeba histolytica acyl-coA synthetase, putative 0.0073 0.0093 0.1524
Schistosoma mansoni methionine-tRNA synthetase 0.0046 0.0041 0.0681
Loa Loa (eye worm) hypothetical protein 0.0291 0.0522 1
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0063 0.0073 0.006
Trichomonas vaginalis antibiotic synthetase, putative 0.0073 0.0093 0.306
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0039 0.0025 0.083
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.5119 1 1
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0046 0.0041 0.1332
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.026 0.0461 0.8828
Trypanosoma brucei valyl-tRNA synthetase, putative 0.0064 0.0076 0.2198
Echinococcus granulosus isoleucyl tRNA synthetase, cytoplasmic 0.0181 0.0306 0.502
Brugia malayi AMP-binding enzyme family protein 0.0073 0.0093 0.1524
Loa Loa (eye worm) hypothetical protein 0.0073 0.0093 0.1791
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0073 0.0093 0.0083
Loa Loa (eye worm) hypothetical protein 0.0055 0.0058 0.1118
Plasmodium vivax methionine--tRNA ligase, putative 0.0046 0.0041 0.1332
Loa Loa (eye worm) hypothetical protein 0.0073 0.0093 0.1791
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.0093 0.2799
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0073 0.0093 0.0083
Schistosoma mansoni arginyl-tRNA synthetase 0.0031 0.0011 0.0185
Loa Loa (eye worm) hypothetical protein 0.0072 0.0091 0.1746
Mycobacterium ulcerans hypothetical protein 0.0073 0.0093 0.0083
Mycobacterium ulcerans thioesterase 0.0534 0.0998 0.0988
Brugia malayi isoleucyl-tRNA synthetase family protein 0.0181 0.0306 0.5446
Mycobacterium tuberculosis Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA glycosylase) 0.0106 0.0158 0.0145
Mycobacterium leprae PROBABLE VALYL-tRNA SYNTHASE PROTEIN VALS (VALYL-tRNA SYNTHETASE) (VALINE--tRNA LIGASE) (VALINE TRANSLASE) ELONGS TO CLASS-I AMI 0.0064 0.0076 0.0097
Giardia lamblia Leucyl-tRNA synthetase 0.0072 0.0091 0.237
Brugia malayi AMP-binding enzyme family protein 0.0073 0.0093 0.1524
Trichomonas vaginalis isoleucyl tRNA synthetase, putative 0.0181 0.0306 1
Schistosoma mansoni threonyl-tRNA synthetase 0.0049 0.0046 0.0773
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0064 0.0076 0.248
Echinococcus granulosus isoleucyl trna synthetase mitochondrial 0.0143 0.023 0.3729
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0073 0.0093 0.008
Wolbachia endosymbiont of Brugia malayi valyl-tRNA synthetase 0.0064 0.0076 0.2198
Mycobacterium ulcerans threonyl-tRNA synthetase 0.0054 0.0057 0.0046
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0106 0.0158 0.0147
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.1784 0.3452 0.3443
Echinococcus granulosus leucyl tRNA synthetase 0.0064 0.0076 0.1103
Chlamydia trachomatis methionine--tRNA ligase 0.033 0.0598 1
Echinococcus granulosus valyl tRNA synthetase 0.0064 0.0076 0.1103
Onchocerca volvulus 0.0064 0.0076 0.2466
Plasmodium vivax valine--tRNA ligase, putative 0.0064 0.0076 0.248
Treponema pallidum valyl-tRNA synthetase 0.0064 0.0076 0.1197
Echinococcus multilocularis valyl tRNA synthetase 0.0064 0.0076 0.1103
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.3319 0.6466 0.6462
Onchocerca volvulus 0.0073 0.0093 0.3333
Plasmodium falciparum valine--tRNA ligase, putative 0.0064 0.0076 0.248
Brugia malayi leucyl-tRNA synthetase 0.0064 0.0076 0.1197
Plasmodium vivax hypothetical protein, conserved 0.0111 0.0167 0.5462
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0093 0.0083
Mycobacterium ulcerans acyl-CoA synthetase 0.0086 0.0119 0.0108
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0046 0.0041 0.0028
Entamoeba histolytica threonyl-tRNA synthetase, putative 0.0054 0.0057 0.0841
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0073 0.0093 0.2799
Toxoplasma gondii isoleucyl-tRNA synthetase family protein 0.0181 0.0306 0.0472
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0073 0.0093 0.306
Mycobacterium leprae isoleucyl-tRNA synthetase IleS 0.0181 0.0306 0.0453
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0073 0.0093 0.0083
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0073 0.0093 0.0124
Wolbachia endosymbiont of Brugia malayi isoleucyl-tRNA synthetase 0.0181 0.0306 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0086 0.0119 0.1989
Onchocerca volvulus 0.0086 0.0119 0.4562
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0118 0.0182 0.0171
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0073 0.0093 0.1405

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 4 mg kg-1 Antagonistic activity against apomorphine induced climbing in CD-1 mice, after oral administration ChEMBL. 6644744
ED50 (functional) > 4 mg kg-1 Antagonistic activity against apomorphine induced climbing in CD-1 mice, after oral administration ChEMBL. 6644744

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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