Detailed information for compound 263059

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 298.767 | Formula: C17H15ClN2O
  • H donors: 0 H acceptors: 1 LogP: 3.96 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)n(C(C)C)c(nc2=O)c1ccccc1
  • InChi: 1S/C17H15ClN2O/c1-11(2)20-15-10-13(18)8-9-14(15)17(21)19-16(20)12-6-4-3-5-7-12/h3-11H,1-2H3
  • InChiKey: XYOQTWXWXIEBIX-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
Brugia malayi beta-lactamase family protein 0.0037 0.0288 0.1069
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Trypanosoma brucei unspecified product 0.0014 0.0023 0.0194
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0288 0.1085
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0402 0.043
Schistosoma mansoni ap endonuclease 0.0019 0.0087 0.0089
Brugia malayi Asparaginyl-tRNA synthetase, cytoplasmic 0.0012 0.0005 0.0001
Loa Loa (eye worm) BRCA2 repeat family protein 0.0049 0.0431 0.1622
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0288 1
Toxoplasma gondii methionyl-tRNA synthetase 0.0022 0.0115 0.0665
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0288 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Brugia malayi replication factor A 73 kDa subunit 0.0243 0.2656 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0115 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0078 0.0613
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.015 0.1209
Brugia malayi protein ZK524.3 0.0022 0.0115 0.0414
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0089 0.0336
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.0078 0.065
Toxoplasma gondii aspartate-tRNA ligase 0.0012 0.0005 0.003
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0022 0.0115 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Loa Loa (eye worm) serine/threonine protein phosphatase PP1-beta catalytic subunit 0.0019 0.0088 0.0333
Loa Loa (eye worm) hypothetical protein 0.0024 0.0138 0.0519
Schistosoma mansoni kinase 0.0047 0.0403 0.0432
Trichomonas vaginalis serine/threonine protein phosphatase, putative 0.0019 0.0088 0.0333
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0021 0.0111 0.0106
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0288 0.2362
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0022 0.0115 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0087 0.0578
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0018
Giardia lamblia Kinase, PLK 0.0092 0.0922 1
Loa Loa (eye worm) serine/threonine protein phosphatase PP1 isozyme 1 0.0012 0.0005 0.0018
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0093 0.0096
Loa Loa (eye worm) hypothetical protein 0.0037 0.0288 0.1085
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0089 0.0336
Leishmania major methionyl-tRNA synthetase, putative 0.0022 0.0115 0.0915
Echinococcus multilocularis serine:threonine protein phosphatase PP1 isozyme 0.0019 0.0088 0.0083
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0187 0.2017 0.2179
Giardia lamblia DINP protein human, muc B family 0.002 0.0093 0.0965
Mycobacterium tuberculosis Conserved protein 0.0037 0.0288 0.111
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0089 0.0336
Loa Loa (eye worm) hypothetical protein 0.0135 0.1418 0.534
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0089 0.0336
Schistosoma mansoni ap endonuclease 0.0019 0.0087 0.0089
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.1417 0.1413
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0402 0.0397
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.0922 0.6485
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0023 0.0194
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0389 0.1466
Loa Loa (eye worm) 63kd antigen 0.0012 0.0005 0.0019
Trypanosoma brucei serine threonine-protein phosphatase PP1, putative 0.0012 0.0005 0.004
Plasmodium vivax methionine--tRNA ligase, putative 0.0022 0.0115 0.0913
Trypanosoma cruzi serine/threonine protein phosphatase catalytic subunit, putative 0.0019 0.0088 0.0697
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0231 0.2519 0.9482
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0115 0.0913
Loa Loa (eye worm) histone methyltransferase 0.0026 0.017 0.0641
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.0922 0.347
Plasmodium falciparum methionine--tRNA ligase, putative 0.0022 0.0115 0.0913
Echinococcus granulosus serine protein kinase ATM 0.0025 0.0157 0.0165
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.1417 0.1529
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0087 0.072
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0093 0.0776
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0018 0.0078 0.0613
Trypanosoma brucei unspecified product 0.002 0.0093 0.0776
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0922 0.347
Giardia lamblia Ser/Thr protein phosphatase PP1-alpha 2 catalytic subunit 0.0019 0.0088 0.0909
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0093 0.0776
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.015 0.1244
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0078 0.0073
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.015 0.1207
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.0078 0.065
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0022 0.0115 0.0915
Chlamydia trachomatis methionine--tRNA ligase 0.0135 0.1418 1
Onchocerca volvulus 0.0085 0.0846 0.3181
Leishmania major serine/threonine protein phosphatase catalytic subunit, putative 0.0019 0.0088 0.0697
Trypanosoma cruzi target of rapamycin kinase 3 0.0018 0.0078 0.0613
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0093 0.0776
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0093 0.0352
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0087 0.0082
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0012 0.0008 0.0003
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0093 0.0776
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0288 0.111
Mycobacterium leprae Probable lipase LipE 0.0037 0.0288 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0089 0.0336
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0288 0.0307
Echinococcus multilocularis serine protein kinase ATM 0.0025 0.0157 0.0152
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0087 0.0683
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0181 0.1943 0.2099
Plasmodium falciparum replication protein A1, large subunit 0.0117 0.1204 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0922 0.347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.0243 0.2656 0.2652
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0922 0.7644
Onchocerca volvulus 0.0037 0.0288 0.0676
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0476 0.051
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0089 0.0336
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0093 0.0776
Brugia malayi methionyl-tRNA synthetase 0.0022 0.0115 0.0414
Echinococcus granulosus geminin 0.0338 0.3742 0.4048
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0087 0.2882
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.0243 0.2656 0.2872
Loa Loa (eye worm) glycyl-tRNA synthetase 0.0105 0.1072 0.4037
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0288 0.2364
Brugia malayi CXXC zinc finger family protein 0.0085 0.0846 0.3172
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0157 0.0574
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0093 0.0776
Echinococcus granulosus protein phosphatase 1 catalytic subunit 0.0019 0.0088 0.009
Loa Loa (eye worm) hypothetical protein 0.0047 0.0402 0.1512
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0135 0.1417 0.5335
Echinococcus granulosus serine:threonine protein phosphatase PP1 beta 0.0019 0.0088 0.009
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0019 0.0088 0.0333
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0922 0.347
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0105 0.1072 0.4037
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0018 0.0078 0.0613
Toxoplasma gondii target of rapamycin (TOR), putative 0.0018 0.0078 0.0455
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0187 0.2017 0.2013
Plasmodium falciparum methionine--tRNA ligase 0.0022 0.0115 0.0913
Trichomonas vaginalis serine/threonine protein phosphatase, putative 0.0012 0.0005 0.0018
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0402 0.043
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0025 0.0157 0.0165
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0093 0.074
Echinococcus multilocularis serine:threonine protein phosphatase PP1 gamma 0.0019 0.0088 0.0083
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0243 0.2656 1
Brugia malayi methionyl-tRNA synthetase 0.0135 0.1418 0.5332
Trichomonas vaginalis protein phosphatase-1, putative 0.0012 0.0005 0.0018
Echinococcus multilocularis geminin 0.0338 0.3742 0.3739
Loa Loa (eye worm) serine/threonine protein phosphatase PP1-alpha catalytic subunit 0.0012 0.0005 0.0018
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0093 0.0776
Echinococcus granulosus dna polymerase kappa 0.002 0.0093 0.0096
Echinococcus multilocularis methionine tRNA synthetase 0.0022 0.0115 0.011
Leishmania major hypothetical protein, conserved 0.0037 0.0288 0.2364
Treponema pallidum leucyl-tRNA synthetase 0.0022 0.0115 0.0774
Schistosoma mansoni glycyl-tRNA synthetase 0.0105 0.1072 0.1156
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0288 1
Echinococcus granulosus methionine tRNA synthetase 0.0022 0.0115 0.0119
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0922 0.347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.0922 0.0917
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0087 0.0326
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0114 0.1172 0.4411
Loa Loa (eye worm) hypothetical protein 0.0037 0.0288 0.1085
Leishmania major leucyl-tRNA synthetase, putative 0.0022 0.0115 0.0915
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0087 0.7459
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0093 0.0335
Echinococcus multilocularis dna polymerase kappa 0.002 0.0093 0.0088
Trichomonas vaginalis protein phosphatase-1, putative 0.0012 0.0005 0.0018
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0135 0.1418 0.1531
Toxoplasma gondii lysine-tRNA ligase 0.0012 0.0005 0.003
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0089 0.0336
Mycobacterium ulcerans lipase LipD 0.0037 0.0288 1
Trypanosoma brucei Replication factor A protein 1 0.0117 0.1204 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0135 0.1417 0.5327
Schistosoma mansoni methionine-tRNA synthetase 0.0022 0.0115 0.0119
Echinococcus granulosus protein phosphatase 1, catalytic subunit, beta isozyme 0.0019 0.0088 0.009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0476 0.0471
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0093 0.074
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0089 0.0336
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Echinococcus granulosus dna polymerase eta 0.002 0.0093 0.0096
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0389 0.1466
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0019 0.0088 0.0333
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0157 0.1269
Brugia malayi beta-lactamase 0.0037 0.0288 0.1069
Echinococcus multilocularis dnaJ subfamily B 0.0817 0.9237 0.9237
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0012 0.0005 0.0042
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0078 0.065
Loa Loa (eye worm) hypothetical protein 0.0053 0.0476 0.1791
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0078 0.008
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0476 0.1776
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0078 0.065
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0922 0.7644
Echinococcus granulosus cpg binding protein 0.009 0.0902 0.0971
Trypanosoma cruzi asparaginyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Schistosoma mansoni hypothetical protein 0.0287 0.3159 0.3417
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0093 0.0088
Trypanosoma brucei polo-like protein kinase 0.0092 0.0922 0.7653
Entamoeba histolytica hypothetical protein 0.0012 0.0005 0.0002
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0018 0.0078 0.052
Loa Loa (eye worm) hypothetical protein 0.0037 0.0288 0.1085
Leishmania major aspartyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Trichomonas vaginalis helicase, putative 0.0019 0.0089 0.0336
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0476 0.0471
Mycobacterium ulcerans hypothetical protein 0.0037 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0115 0.0431
Trypanosoma brucei unspecified product 0.0014 0.0023 0.0194
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0288 0.111
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.0243 0.2656 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0087 0.0891
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0402 0.043
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0157 0.0591
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0093 0.3122
Toxoplasma gondii exonuclease III APE 0.0019 0.0087 0.0504
Schistosoma mansoni methionine-tRNA synthetase 0.0135 0.1418 0.1531
Leishmania major replication Factor A 28 kDa subunit, putative 0.0012 0.0005 0.0003
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0087 0.032
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Trichomonas vaginalis protein phosphatase-1, putative 0.0019 0.0088 0.0333
Trichomonas vaginalis aspartyl/lysyl-tRNA synthetase, putative 0.0012 0.0005 0.0019
Loa Loa (eye worm) serine/threonine protein phosphatase PP1 isozyme 1 0.0012 0.0005 0.0018
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0087 0.0326
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0078 0.0295
Trichomonas vaginalis serine/threonine protein phosphatase, putative 0.0012 0.0005 0.0018
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0018 0.0078 0.0613
Brugia malayi Serine/threonine protein phosphatase F56C9.1 in chromosomeIII 0.0019 0.0088 0.0315
Leishmania major DNA polymerase eta, putative 0.002 0.0093 0.074
Toxoplasma gondii hypothetical protein 0.0026 0.016 0.0932
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0476 0.051
Schistosoma mansoni replication factor A 1 rfa1 0.0243 0.2656 0.2872
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.0922 0.7644
Treponema pallidum methionyl-tRNA synthetase 0.0135 0.1418 1
Schistosoma mansoni cpg binding protein 0.009 0.0902 0.0971
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0089 0.0336
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0093 0.0776
Toxoplasma gondii histone lysine methyltransferase SET1 0.0162 0.1721 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0087 0.0683
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0093 0.0776
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0116 0.0931
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Schistosoma mansoni hypothetical protein 0.0338 0.3742 0.4048
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0135 0.1418 0.1414
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0078 0.065
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0288 0.1085
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0022 0.0115 0.0429
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0019
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0093 0.0776
Trypanosoma brucei protein phosphatase 1 0.0012 0.0005 0.004
Plasmodium vivax serine/threonine protein phosphatase PP1, putative 0.0019 0.0088 0.0695
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0089 0.0336
Leishmania major DNA polymerase kappa, putative 0.002 0.0093 0.074
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0087 0.0683
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0093 0.074
Brugia malayi mbt repeat family protein 0.0047 0.0402 0.1497
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0078 0.0277
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0288 0.111
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0288 0.1085
Loa Loa (eye worm) aspartyl-tRNA synthetase 0.0012 0.0005 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.1417 0.153
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0089 0.0336
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0288 0.2364
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0476 0.051
Loa Loa (eye worm) hypothetical protein 0.002 0.0093 0.0352
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.0922 0.0993
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0089 0.0336
Loa Loa (eye worm) serine/threonine protein phosphatase PP1-alpha catalytic subunit 0.0012 0.0005 0.0018
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0022 0.0115 0.0431
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0288 0.1069
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0022 0.0115 0.3864
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0402 0.043
Entamoeba histolytica replication factor A protein 1, putative 0.0105 0.1067 0.7512
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0288 0.0283
Leishmania major aspartyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0021 0.0111 0.0106
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0093 0.0776
Trypanosoma brucei protein phosphatase 1 0.0012 0.0005 0.004
Echinococcus multilocularis cpg binding protein 0.009 0.0902 0.0897
Trypanosoma cruzi Replication factor A protein 1 0.0117 0.1204 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0087 0.0326
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.2556 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.1417 0.153
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0093 0.0347
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0093 0.074
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0087 0.0309
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0288 0.2394
Echinococcus granulosus serine:threonine protein phosphatase PP1 gamma 0.0019 0.0088 0.009
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0093 0.0096
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0079 0.0616
Echinococcus multilocularis protein phosphatase 1 catalytic subunit 0.0019 0.0088 0.0083
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0087 0.0681
Echinococcus granulosus glycyl tRNA synthetase 0.0105 0.1072 0.1156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0105 0.1072 0.4026
Loa Loa (eye worm) hypothetical protein 0.0037 0.0288 0.1085
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0402 0.043
Loa Loa (eye worm) MBCTL1 0.0053 0.0476 0.1791
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0288 0.111
Trypanosoma brucei protein phosphatase 1, putative 0.0019 0.0088 0.0734
Brugia malayi BRCA2 repeat family protein 0.0049 0.0431 0.1607
Trypanosoma brucei serine threonine-protein phosphatase PP1, putative 0.0012 0.0005 0.004
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0089 0.0336
Toxoplasma gondii OB-fold nucleic acid binding domain-containing protein 0.0061 0.0568 0.3302
Entamoeba histolytica hypothetical protein 0.0025 0.0157 0.1077
Loa Loa (eye worm) hypothetical protein 0.0022 0.0116 0.0439
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0089 0.0336
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.1417 0.1413
Leishmania major phosphatidylinositol 3-kinase, putative 0.0018 0.0078 0.0613
Echinococcus multilocularis leucyl tRNA synthetase 0.0022 0.0115 0.011
Brugia malayi Aspartyl-tRNA synthetase 0.0012 0.0005 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Onchocerca volvulus Putative replication factor A 73 kDa subunit 0.0218 0.2363 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0288 0.111
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0288 0.0307
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0922 0.347
Mycobacterium tuberculosis Conserved protein 0.0037 0.0288 0.111
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0922 0.347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0078 0.0277
Entamoeba histolytica asparaginyl-tRNA synthetase, putative 0.0012 0.0005 0.0002
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0018 0.0078 0.052
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0093 0.074
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0288 0.1085
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.0922 0.3458
Schistosoma mansoni leucyl-tRNA synthetase 0.0022 0.0115 0.0119
Brugia malayi lysyl-tRNA synthetase 0.0012 0.0005 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Plasmodium vivax methionine--tRNA ligase, putative 0.0022 0.0115 0.0913
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0078 0.008
Onchocerca volvulus 0.0037 0.0288 0.0676
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0087 0.058
Plasmodium vivax replication protein A1, large subunit, putative 0.0117 0.1204 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0026 0.017 0.0165
Trypanosoma brucei aspartyl-tRNA synthetase, putative 0.0012 0.0005 0.0042
Brugia malayi hypothetical protein 0.0025 0.015 0.0547
Loa Loa (eye worm) hypothetical protein 0.0019 0.0088 0.0333
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0078 0.0079
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0078 0.0295
Onchocerca volvulus 0.0037 0.0288 0.0676
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0288 0.1085
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0023 0.0194
Loa Loa (eye worm) hypothetical protein 0.0025 0.015 0.0564
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0089 0.0336
Leishmania major replication factor A, 51kDa subunit, putative 0.0117 0.1204 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0093 0.3122
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0093 0.0776
Chlamydia trachomatis leucine--tRNA ligase 0.0022 0.0115 0.0774
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Schistosoma mansoni cpg binding protein 0.009 0.0902 0.0971
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0022 0.0115 0.0951
Entamoeba histolytica replication factor A, putative 0.0024 0.0138 0.0942
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0402 0.1512
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0022 0.0115 0.3864
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0087 0.0681
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0093 0.0352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Echinococcus multilocularis serine:threonine protein phosphatase PP1 gamma 0.0019 0.0088 0.0083
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0288 0.111
Loa Loa (eye worm) beta-lactamase 0.0037 0.0288 0.1085
Echinococcus multilocularis serine:threonine protein phosphatase PP1 beta 0.0019 0.0088 0.0083
Giardia lamblia Hypothetical protein 0.0036 0.0275 0.2949
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0018 0.0078 0.0613
Mycobacterium ulcerans beta-lactamase 0.0037 0.0288 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0288 0.0307
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0288 0.111
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0288 0.1085
Giardia lamblia Methionyl-tRNA synthetase 0.0022 0.0115 0.1194
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0243 0.2656 1
Echinococcus granulosus serine:threonine protein phosphatase PP1 gamma 0.0019 0.0088 0.009
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0019 0.0088 0.0333
Toxoplasma gondii ABC1 family protein 0.0037 0.0288 0.1675
Brugia malayi Serine/threonine protein phosphatase PP1-beta catalytic subunit 0.0019 0.0088 0.0315
Echinococcus multilocularis dna polymerase eta 0.002 0.0093 0.0088
Entamoeba histolytica hypothetical protein 0.0012 0.0005 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0026 0.017 0.0179
Echinococcus granulosus mixed lineage leukemia protein mll 0.0021 0.0111 0.0114
Schistosoma mansoni protein phosphatase type 1 0.0019 0.0088 0.0091
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0093 0.074
Schistosoma mansoni protein phosphatase type 1 0.0019 0.0088 0.0091
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0023 0.0194
Brugia malayi glycyl-tRNA synthetase 0.0105 0.1072 0.4026
Toxoplasma gondii tRNA ligases class I (M) protein 0.0022 0.0115 0.0665
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0093 0.0776
Onchocerca volvulus 0.0047 0.0402 0.1186
Trichomonas vaginalis esterase, putative 0.0037 0.0288 0.1085
Toxoplasma gondii serine/threonine phosophatase PP1 0.0019 0.0088 0.0514
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0012 0.0005 0.0042
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0089 0.0336
Leishmania major asparaginyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Schistosoma mansoni cpg binding protein 0.0085 0.0846 0.0911
Schistosoma mansoni hypothetical protein 0.0817 0.9237 1
Trichomonas vaginalis protein phosphatase, caeel, putative 0.0019 0.0088 0.0333
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.0922 0.3522
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0093 0.0352
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0135 0.1418 1
Leishmania major hypothetical protein, conserved 0.0025 0.015 0.1209
Loa Loa (eye worm) serine/threonine protein phosphatase PP1-gamma catalytic subunit 0.0012 0.0005 0.0018
Schistosoma mansoni protein phosphatase-1 0.0019 0.0088 0.0091
Entamoeba histolytica aspartyl-tRNA synthetase, putative 0.0012 0.0005 0.0002
Trichomonas vaginalis protein phosphatase, caeel, putative 0.0012 0.0005 0.0018
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0093 0.0347
Trypanosoma brucei aspartyl-tRNA synthetase, putative 0.0012 0.0005 0.0042
Plasmodium falciparum serine/threonine protein phosphatase PP1 0.0019 0.0088 0.0695
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Loa Loa (eye worm) CXXC zinc finger family protein 0.0085 0.0846 0.3185
Trypanosoma brucei serine threonine-protein phosphatase PP1, putative 0.0012 0.0005 0.004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Leishmania major lysyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Brugia malayi beta-lactamase family protein 0.0037 0.0288 0.1069
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0089 0.0336
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.015 0.1209
Brugia malayi hypothetical protein 0.0016 0.005 0.017
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0022 0.0115 0.0431
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0079 0.0616
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.015 0.1207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0402 0.1186
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0078 0.0079
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0021 0.0111 0.0115
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.0922 0.0993
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.015 0.1207
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0288 0.111
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.1417 0.1529
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0012 0.0005 0.0018
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0117 0.1204 0.4534
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0018 0.0078 0.0613
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0093 0.0096
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0005 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0078 0.0295
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0018 0.0078 0.0613
Schistosoma mansoni hypothetical protein 0.0338 0.3742 0.4048
Echinococcus granulosus dnaJ subfamily B 0.0817 0.9237 1
Brugia malayi F/Y-rich N-terminus family protein 0.0026 0.0166 0.0609
Giardia lamblia GTOR 0.0018 0.0078 0.0799
Echinococcus multilocularis glycyl tRNA synthetase 0.0105 0.1072 0.1068
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0093 0.0776
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0402 0.0397
Loa Loa (eye worm) hypothetical protein 0.0037 0.0288 0.1085
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0922 0.347
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0012 0.0005 0.0019
Trypanosoma brucei asparaginyl-tRNA synthetase, putative 0.0012 0.0005 0.0042
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0021 0.0111 0.0114
Trypanosoma cruzi replication Factor A 28 kDa subunit, putative 0.0012 0.0005 0.0003
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.0117 0.1204 0.6997
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0093 0.0335
Brugia malayi mbt repeat family protein 0.0047 0.0402 0.1497
Schistosoma mansoni DNA polymerase eta 0.002 0.0093 0.0096
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.1417 0.153
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0093 0.0628
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.015 0.0871
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0078 0.0613
Trichomonas vaginalis protein phosphatase-5, putative 0.0012 0.0005 0.0018
Toxoplasma gondii FATC domain-containing protein 0.0025 0.0157 0.0912
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0022 0.0115 0.3864
Giardia lamblia Leucyl-tRNA synthetase 0.0022 0.0115 0.1194
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0078 0.0073
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0087 0.0088
Schistosoma mansoni protein phosphatase-1 0.0019 0.0088 0.0091
Leishmania major lysyl-tRNA synthetase, putative 0.0012 0.0005 0.0003
Loa Loa (eye worm) hypothetical protein 0.0037 0.0288 0.1085
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0025 0.0157 0.1304

Activities

Activity type Activity value Assay description Source Reference
ED30 (functional) 0 mg kg-1 Analgesic activity of the compound by oral administration of 200 mg/kg; Not effective ChEMBL. 3872940
ED30 (functional) = 16 mg kg-1 Anti-inflammatory activity of the compound following oral administration ChEMBL. 3872940
Inhibition (functional) = 50 % Percent inhibition against carrageenin-induced rat paw edema at 50 mg/kg dose administered perorally; 41-50% ChEMBL. 3872940
No. of mice (functional) = 3 Number of mice bearing ulcer at dose 48 mg/kg out of 5 mices tested ChEMBL. 3872940
No. of mice (functional) = 3 Number of mice bearing ulcer at dose 48 mg/kg out of 5 mices tested ChEMBL. 3872940
Toxicity (ADMET) = 0 Toxicity of the compound by number of mice dead at dose 500 mg/kg out of 5 mice tested by oral administration route; Value represented as 0/5 ChEMBL. 3872940
Toxicity (ADMET) = 0 Toxicity of the compound by number of mice dead at dose 500 mg/kg out of 5 mice tested by oral administration route; Value represented as 0/5 ChEMBL. 3872940
Ulcer Index (functional) = 0.2 Ulcer index of the compound by number of mice bearing ulcer at dose 48 mg/kg out of 5 mice tested ChEMBL. 3872940
Ulcer Index (functional) = 0.2 Ulcer index of the compound by number of mice bearing ulcer at dose 48 mg/kg out of 5 mice tested ChEMBL. 3872940

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

1 literature reference was collected for this gene.

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