Detailed information for compound 1182879

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 454.952 | Formula: C23H27ClN6O2
  • H donors: 3 H acceptors: 3 LogP: 3.69 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C=C(\Nc1cccc2c1[nH]cc2Cl)/N[C@H]1CCCCN(C1=O)CC(=O)N1CCCC1
  • InChi: 1S/C23H27ClN6O2/c24-17-14-26-22-16(17)6-5-8-18(22)27-20(9-10-25)28-19-7-1-2-13-30(23(19)32)15-21(31)29-11-3-4-12-29/h5-6,8-9,14,19,26-28H,1-4,7,11-13,15H2/b20-9+/t19-/m0/s1
  • InChiKey: MTZYCCICLVAOGO-SVRLSDIQSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor X Starlite/ChEMBL References

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
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0127 0.0201
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0114 0.0359
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0566 0.0565
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0087 0.0131
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.0074 0.0234
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0566 0.0565
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0566
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0156 0.4773
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0233 0.0732
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.004 0.0125
Schistosoma mansoni hypothetical protein 0.0063 0.0566 0.0902
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Trypanosoma cruzi target of rapamycin kinase 3 0.0018 0.0074 0.0092
Echinococcus multilocularis fibrillin 1 0.0016 0.0052 0.0051
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.1439 0.4524
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0087 0.0131
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1222 0.1222
Brugia malayi hypothetical protein 0.0026 0.0156 0.0105
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.011 0.011
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.011 0.0059
Loa Loa (eye worm) hypothetical protein 0.0021 0.011 0.011
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.011 0.011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.3144 0.502
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0347 0.3699 0.3699
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0074 0.0074
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0018 0.0074 0.0092
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.011 0.0059
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.011 0.0059
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0198 0.2059 0.2059
Brugia malayi hypothetical protein 0.0073 0.0683 0.0634
Plasmodium falciparum importin beta, putative 0.0032 0.0233 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0156 0.0354
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0566 0.0565
Loa Loa (eye worm) hypothetical protein 0.0022 0.0114 0.0114
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0114 0.0359
Brugia malayi latrophilin 2 splice variant baaae 0.0135 0.1368 0.1323
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0943 0.1505
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.011 0.0059
Echinococcus multilocularis zinc finger protein 0.002 0.0093 0.0093
Treponema pallidum fructose-bisphosphate aldolase 0.0297 0.3144 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0138 0.0137
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0566 0.0516
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0074 0.0074
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0052 0.0052
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0156 0.2733
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0156 0.4773
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.011 0.011
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.011 0.011
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0087 0.004
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0566 0.0566
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.011 0.011
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.011 0.0175
Echinococcus granulosus zinc finger protein 0.002 0.0093 0.0093
Echinococcus multilocularis serine protein kinase ATM 0.0025 0.0149 0.0148
Brugia malayi ecdysteroid receptor 0.0021 0.011 0.0059
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.011 0.0175
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0165 0.0263
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0075 0.0093
Toxoplasma gondii calcium binding egf domain-containing protein 0.0016 0.0052 0.0912
Echinococcus multilocularis GPCR, family 2 0.0063 0.0566 0.0565
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0114 0.0113
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0052
Echinococcus multilocularis dna polymerase eta 0.0022 0.0114 0.0113
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0114 0.0359
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.0683 0.0682
Loa Loa (eye worm) hypothetical protein 0.0198 0.2059 0.2059
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0114 0.0044
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.011 0.0109
Loa Loa (eye worm) hypothetical protein 0.0021 0.011 0.011
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.011 0.011
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.004 0.0125
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0025 0.0149 0.0469
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0114 0.0071
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.011 0.0175
Loa Loa (eye worm) hypothetical protein 0.0026 0.0156 0.0156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Schistosoma mansoni zinc finger protein 0.0016 0.0045 0.0071
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.1472 0.2243
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0138 0.3519
Brugia malayi Importin beta-1 subunit 0.0032 0.0233 0.0181
Schistosoma mansoni ap endonuclease 0.0019 0.0087 0.0137
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0127 0.0126
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0074 0.0022
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0114 0.0359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0025 0.0149 0.0237
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.011 0.011
Trypanosoma brucei unspecified product 0.0015 0.004 0.0125
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0065 0.0103
Loa Loa (eye worm) hypothetical protein 0.0021 0.011 0.011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0943 0.0943
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0065 0.0064
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0943 0.0943
Loa Loa (eye worm) hypothetical protein 0.0039 0.0304 0.0304
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0114 0.0219
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0233 0.0732
Echinococcus granulosus snurportin 1 0.0347 0.3699 0.3699
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0943 0.1505
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0165 0.0263
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0072 0.0072
Leishmania major mitochondrial DNA polymerase beta 0.03 0.3179 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.011 0.011
Echinococcus granulosus Tolloid protein 1 0.0016 0.0052 0.0051
Schistosoma mansoni hypothetical protein 0.0073 0.0683 0.1089
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0021 0.011 0.011
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0087 0.004
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.3144 0.502
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.011 0.0109
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0114 0.0182
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.011 0.0175
Loa Loa (eye worm) hypothetical protein 0.0072 0.0665 0.0665
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.011 0.0175
Loa Loa (eye worm) hypothetical protein 0.0081 0.0763 0.0763
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0805 0.8748 0.8748
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0087 0.0035
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.011 0.0109
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0075 0.0093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0149 0.0238
Schistosoma mansoni hypothetical protein 0.0063 0.0566 0.0902
Schistosoma mansoni coup transcription factor 0.0021 0.011 0.0175
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0114 0.0071
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.1439 0.4445
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.011 0.011
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.011 0.0059
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0138 0.0086
Brugia malayi steroid hormone receptor 0.0021 0.011 0.0059
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0016 0.0052 0.0082
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0087 0.0086
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.011 0.011
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.011 0.0175
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.011 0.0175
Brugia malayi Pre-SET motif family protein 0.0441 0.4738 0.471
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0339 0.0937
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0114 0.0113
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0233 0.4067
Echinococcus granulosus serine protein kinase ATM 0.0025 0.0149 0.0148
Leishmania major importin beta-1 subunit, putative 0.0026 0.0165 0.0381
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0087 0.0138
Schistosoma mansoni importin beta-1 0.0032 0.0233 0.037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Schistosoma mansoni ran 0.0024 0.0138 0.0219
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0138 0.0138
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0165 0.0381
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.011 0.011
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0087 0.0138
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0114 0.0181
Trypanosoma brucei unspecified product 0.0022 0.0114 0.0359
Schistosoma mansoni DNA polymerase eta 0.0022 0.0114 0.0181
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0138 0.0295
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.011 0.011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.011 0.011
Giardia lamblia Fructose-bisphosphate aldolase 0.0297 0.3144 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0111 0.0208
Mycobacterium ulcerans hypothetical protein 0.0158 0.1615 0.2475
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0572 0.0571
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.011 0.0059
Toxoplasma gondii FATC domain-containing protein 0.0025 0.0149 0.2606
Echinococcus granulosus histone lysine methyltransferase setb 0.0081 0.0763 0.0762
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0138 0.1059
Brugia malayi glutaminase DH11.1 0.0579 0.6262 0.6243
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0546 0.0545
Brugia malayi MH2 domain containing protein 0.0122 0.1222 0.1176
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.011 0.011
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0021 0.011 0.011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Loa Loa (eye worm) glutaminase 0.0579 0.6262 0.6262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.1615 0.3976
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0297 0.3144 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0156 0.1436
Echinococcus granulosus dna polymerase eta 0.0022 0.0114 0.0113
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0081 0.0763 0.1217
Loa Loa (eye worm) hypothetical protein 0.0021 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0052
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0114 0.0182
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0065 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0566 0.0565
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0149 0.0097
Leishmania major GTP-binding protein, putative 0.0024 0.0138 0.0295
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0087 0.0131
Echinococcus granulosus dna polymerase kappa 0.0022 0.0114 0.0113
Trypanosoma brucei unspecified product 0.0015 0.004 0.0125
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0114 0.0219
Schistosoma mansoni ap endonuclease 0.0019 0.0087 0.0137
Echinococcus multilocularis snurportin 1 0.0347 0.3699 0.3699
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0114 0.0181
Toxoplasma gondii hypothetical protein 0.0048 0.0407 0.7123
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.3179 1
Brugia malayi Bromodomain containing protein 0.0076 0.0713 0.0665
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.004 0.0125
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0566 0.0516
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.3144 0.502
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0087 0.0087
Leishmania major phosphatidylinositol 3-kinase, putative 0.0018 0.0074 0.0092
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0021 0.0111 0.0111
Echinococcus granulosus geminin 0.0339 0.3614 0.3614
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.0074 0.0234
Entamoeba histolytica hypothetical protein 0.0026 0.0165 0.0295
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.011 0.0059
Leishmania major hypothetical protein, conserved 0.0026 0.0156 0.0354
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0114 0.0359
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0018 0.0074 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0943 0.0943
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0016 0.0052 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0114 0.0062
Loa Loa (eye worm) hypothetical protein 0.0021 0.011 0.011
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0339 0.0937
Schistosoma mansoni hypothetical protein 0.0021 0.0105 0.0167
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0114 0.013
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0052
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0114 0.0062
Schistosoma mansoni hypothetical protein 0.0063 0.0566 0.0902
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0087 0.5
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0074 0.0117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0114 0.0044
Trypanosoma brucei ISWI complex protein 0.0016 0.0045 0.0143
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0114 0.0359
Toxoplasma gondii target of rapamycin (TOR), putative 0.0018 0.0074 0.1299
Entamoeba histolytica Ran family GTPase 0.0024 0.0138 0.0207
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0114 0.0359
Mycobacterium tuberculosis ATP phosphoribosyltransferase HisG 0.0368 0.3931 1
Echinococcus granulosus laminin 0.0016 0.0052 0.0051
Loa Loa (eye worm) hypothetical protein 0.0041 0.033 0.033
Brugia malayi Pre-SET motif family protein 0.0063 0.0572 0.0522
Plasmodium vivax importin-beta 2, putative 0.0032 0.0233 0.3008
Brugia malayi PHD-finger family protein 0.0025 0.0153 0.0101
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0339 0.0937
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.011 0.0059
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0441 0.1261
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.1222 0.1222
Schistosoma mansoni hypothetical protein 0.0347 0.3699 0.5906
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0114 0.0359
Mycobacterium ulcerans glutaminase 0.0579 0.6262 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.011 0.011
Brugia malayi hypothetical protein 0.0017 0.0056 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.011 0.0059
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0441 0.4738 0.4738
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.011 0.0175
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0156 0.0354
Schistosoma mansoni hypothetical protein 0.0063 0.0566 0.0902
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0683 0.0682
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0198 0.2059 0.2018
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0081 0.0763 0.1217
Echinococcus multilocularis laminin 0.0016 0.0052 0.0051
Schistosoma mansoni egf-like domain protein 0.0016 0.0052 0.0082
Echinococcus granulosus importin subunit beta 1 0.0032 0.0233 0.0232
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0114 0.0114
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.011 0.011
Schistosoma mansoni hypothetical protein 0.0339 0.3614 0.577
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0233 0.0232
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0276 0.0276
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0074 0.0092
Toxoplasma gondii calcium binding egf domain-containing protein 0.0016 0.0052 0.0912
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.011 0.011
Brugia malayi nuclear receptor NHR-88 0.0021 0.011 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.011 0.0059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Schistosoma mansoni bromodomain containing protein 0.0064 0.0582 0.0929
Trypanosoma brucei mitochondrial DNA polymerase beta 0.03 0.3179 1
Schistosoma mansoni thyroid hormone receptor 0.0021 0.011 0.0175
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0114 0.0219
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0138 0.0137
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0074 0.0234
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0081 0.0763 0.0762
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.011 0.0059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0114 0.0219
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.011 0.011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.3144 0.502
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.011 0.0059
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0018 0.0074 0.0092
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0138 0.0295
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0943 0.1505
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0114 0.0113
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0114 0.0359
Plasmodium vivax SET domain protein, putative 0.0063 0.0572 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0065 0.0064
Schistosoma mansoni hypothetical protein 0.0016 0.0045 0.0071
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.011 0.011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.3144 0.502
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.1472 0.3602
Echinococcus granulosus FTZ F1 alpha 0.0021 0.011 0.011
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0114 0.0359
Brugia malayi Bromodomain containing protein 0.0039 0.0303 0.0252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Loa Loa (eye worm) hypothetical protein 0.0021 0.011 0.011
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.011 0.0059
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0074 0.0074
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.3144 0.502
Schistosoma mansoni ran 0.0024 0.0138 0.0219
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0018 0.0074 0.0092
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0114 0.0219
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.1439 0.4445
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0943 0.0943
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0114 0.0359
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0135 0.1368 0.1368
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Entamoeba histolytica hypothetical protein 0.0073 0.0683 0.1983
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0114 0.0359
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.011 0.0059
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0105 0.0105
Leishmania major DNA polymerase eta, putative 0.0022 0.0114 0.0219
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0156 0.0492
Trichomonas vaginalis glutaminase, putative 0.0579 0.6262 1
Brugia malayi nuclear hormone receptor 0.0021 0.011 0.0059
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0087 0.0272
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0297 0.3144 1
Onchocerca volvulus 0.0502 0.541 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0542 0.0541
Leishmania major DNA polymerase kappa, putative 0.0022 0.0114 0.0219
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0127 0.0126
Schistosoma mansoni hypothetical protein 0.0339 0.3614 0.577
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0016 0.0052 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0052
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.0943 0.0943
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0074 0.0092
Schistosoma mansoni hypothetical protein 0.0135 0.1368 0.2183
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.3179 1
Onchocerca volvulus 0.0063 0.0572 0.097
Schistosoma mansoni thyroid hormone receptor 0.0021 0.011 0.0175
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0138 0.0434
Schistosoma mansoni nuclear hormone receptor 0.0021 0.011 0.0175
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0114 0.0359
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.011 0.011
Entamoeba histolytica hypothetical protein 0.0073 0.0683 0.1983
Schistosoma mansoni glutaminase 0.0579 0.6262 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0149 0.033
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0114 0.0219
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.3144 0.502
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.011 0.0175
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0018 0.0074 0.0092
Onchocerca volvulus 0.0021 0.011 0.0109
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0114 0.0359
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.011 0.0059
Echinococcus multilocularis geminin 0.0339 0.3614 0.3614
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.3144 0.502
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0074 0.0234
Mycobacterium ulcerans ATP phosphoribosyltransferase 0.0368 0.3931 0.6226
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.0943 0.0896
Entamoeba histolytica hypothetical protein 0.0073 0.0683 0.1983
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0138 0.2413
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0572 0.0912
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.011 0.011
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0018 0.0074 0.0092
Toxoplasma gondii exonuclease III APE 0.0019 0.0087 0.1515
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0074 0.0234
Brugia malayi Calcitonin receptor-like protein seb-1 0.0198 0.2059 0.2018
Schistosoma mansoni zinc finger protein 0.002 0.0093 0.0148
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0074 0.0117
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0138 0.0207
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0542 0.0541
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.011 0.011
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0572 0.0912
Giardia lamblia DINP protein human, muc B family 0.0022 0.0114 0.013
Mycobacterium leprae Probable ATP phosphoribosyltransferase HisG 0.0368 0.3931 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0233 0.0233
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0074 0.0074
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0339 0.1066
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0074 0.0074
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0165 0.0263
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.011 0.011
Trichomonas vaginalis set domain proteins, putative 0.0502 0.541 0.8638
Brugia malayi RNA, U transporter 1 0.0092 0.0893 0.0845
Entamoeba histolytica hypothetical protein 0.0073 0.0683 0.1983
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0683 0.1089
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0074 0.0022
Loa Loa (eye worm) glutaminase 2 0.0579 0.6262 0.6262
Echinococcus granulosus GPCR family 2 0.0063 0.0566 0.0565
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Echinococcus multilocularis Tolloid protein 1 0.0016 0.0052 0.0051
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0572 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0351 0.0351
Trichomonas vaginalis ran, putative 0.0024 0.0138 0.022
Entamoeba histolytica hypothetical protein 0.0025 0.0149 0.0243
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.011 0.011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0074 0.0119
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0087 0.0086
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.011 0.0059

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 15 uM Anticoagulant activity in human plasma assessed as concentration required to double the prothrombin based clotting time ChEMBL. 18998662
IC50 (binding) = 46 nM Inhibition of human factor 10a assessed as cleavage of S-2222 substrate ChEMBL. 18998662
PB (ADMET) = 84 % Protein binding in human serum at 10 uM after 4 hrs by equilibrium dialysis ChEMBL. 18998662

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

Bibliographic References

1 literature reference was collected for this gene.

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