Detailed information for compound 1617443

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.864 | Formula: C20H26Cl3N3OS
  • H donors: 0 H acceptors: 1 LogP: 6.64 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C=Nc1cc(Cl)c(cc1CC(=O)N([C@H]1CCCC[C@@H]1N1CCCC1)C)Cl.Cl
  • InChi: 1S/C20H25Cl2N3OS.ClH/c1-24(18-6-2-3-7-19(18)25-8-4-5-9-25)20(26)11-14-10-15(21)16(22)12-17(14)23-13-27;/h10,12,18-19H,2-9,11H2,1H3;1H/t18-,19-;/m0./s1
  • InChiKey: AVMOGIGMTJJPBN-HLRBRJAUSA-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
Loa Loa (eye worm) hypothetical protein 0.0199 0.0333 0.0345
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.216 0.3798 1
Mycobacterium leprae Probable biotinylated protein homolog TB7.3 0.0199 0.0333 0.0876
Mycobacterium ulcerans aldehyde dehydrogenase 0.0185 0.031 0.0815
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0042 0.0042
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.0087 0.0228
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.0234 0.0234
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0016 0.0016
Echinococcus multilocularis Biotin lipoyl attachment 0.0199 0.0333 0.0333
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0199 0.0333 0.0333
Brugia malayi follicle stimulating hormone receptor 0.0243 0.0412 0.0427
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.008 0.0083
Trypanosoma brucei unspecified product 0.142 0.2491 0.2491
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0768 0.134 0.3527
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0768 0.134 0.3527
Echinococcus multilocularis geminin 0.0188 0.0315 0.0315
Echinococcus granulosus dna polymerase eta 0.0019 0.0016 0.0016
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0016 0.0026
Chlamydia trachomatis biotin carboxylase 0.1961 0.3447 1
Brugia malayi Cytochrome P450 family protein 0.0011 0.0001 0.0001
Leishmania major DNA polymerase eta, putative 0.0019 0.0016 0.0016
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0016 0.0026
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0199 0.0333 0.0333
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0199 0.0333 0.0333
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0011 0.0001 0.0002
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0199 0.0333 0.0876
Mycobacterium ulcerans aldehyde dehydrogenase 0.0185 0.031 0.0815
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.008 0.0082
Giardia lamblia DINP protein human, muc B family 0.0019 0.0016 0.0094
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0768 0.134 0.134
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0049 0.0051
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0016 0.0026
Brugia malayi Cytochrome P450 family protein 0.002 0.0017 0.0017
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0199 0.0333 0.0333
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0011 0.0001 0.0002
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0768 0.134 0.3527
Loa Loa (eye worm) hypothetical protein 0.0199 0.0333 0.0345
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0768 0.134 0.3527
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide acyltransferase E2 component 0.0199 0.0333 0.0876
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0199 0.0333 0.0876
Loa Loa (eye worm) hypothetical protein 0.0199 0.0333 0.0345
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.216 0.3798 0.3798
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0488 0.0845 0.0844
Loa Loa (eye worm) cytochrome P450 0.0011 0.0001 0.0001
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0011 0.0001 0.0002
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0039 0.0038
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0185 0.031 0.0309
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0006 0.0005
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0013 0.0014
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0016 0.0356
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.0404 0.0404
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.0087 0.0086
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.4103 0.7232 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0016 0.0016
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0234 0.0377
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0042 0.0042
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0057 0.0092
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0011 0.0001 0.0002
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0768 0.134 0.134
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0011 0.0001 0.0002
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0199 0.0333 0.0538
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0768 0.134 0.134
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.0234 0.0234
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.216 0.3798 0.3798
Onchocerca volvulus 0.0034 0.0042 0.0931
Schistosoma mansoni hypothetical protein 0.0188 0.0315 0.0315
Leishmania major cytochrome p450-like protein 0.0011 0.0001 0.0001
Leishmania major mitochondrial DNA polymerase beta 0.0301 0.0513 0.0513
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0011 0.0001 0.0002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.0234 0.0234
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0768 0.134 0.3527
Echinococcus multilocularis cpg binding protein 0.0031 0.0036 0.0036
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.0513 0.083
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0087 0.0228
Trypanosoma brucei unspecified product 0.0013 0.0006 0.0005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.0234 0.0234
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0017 0.0017
Schistosoma mansoni cpg binding protein 0.0029 0.0033 0.0033
Leishmania major cytochrome p450-like protein 0.002 0.0017 0.0017
Echinococcus granulosus cpg binding protein 0.0031 0.0036 0.0036
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.216 0.3798 1
Schistosoma mansoni pyruvate carboxylase 0.216 0.3798 0.3798
Brugia malayi Carboxyl transferase domain containing protein 0.5471 0.9649 1
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0199 0.0333 0.0405
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0199 0.0333 0.0333
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0013 0.0013
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.216 0.3798 0.6141
Schistosoma mansoni hypothetical protein 0.0049 0.0068 0.0068
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0017 0.0027
Schistosoma mansoni aldehyde dehydrogenase 0.0185 0.031 0.0309
Mycobacterium ulcerans hypothetical protein 0.0158 0.0262 0.0689
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0016 0.0016
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0.0017 0.0044
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0199 0.0333 0.0333
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0199 0.0333 0.0333
Schistosoma mansoni survival motor neuron protein 0.0049 0.0068 0.0068
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0199 0.0333 0.0876
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0199 0.0333 0.0538
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.4103 0.7232 1
Schistosoma mansoni cpg binding protein 0.0031 0.0036 0.0036
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0199 0.0333 0.0405
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0199 0.0333 0.0333
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.216 0.3798 1
Toxoplasma gondii pyruvate carboxylase 0.216 0.3798 0.3798
Schistosoma mansoni hypothetical protein 0.0018 0.0013 0.0013
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0011 0.0001 0.0001
Echinococcus granulosus geminin 0.0188 0.0315 0.0315
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0011 0.0001 0.0001
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0488 0.0845 0.2223
Leishmania major carbamoyl-phosphate synthase, putative 0.0488 0.0845 0.0844
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0011 0.0001 0.0002
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0199 0.0333 0.0333
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0011 0.0001 0.0002
Trypanosoma cruzi acetyl-CoA carboxylase 0.351 0.6184 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0049 0.0069 0.0071
Brugia malayi CXXC zinc finger family protein 0.0029 0.0033 0.0035
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0199 0.0333 0.0538
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.008 0.0083
Schistosoma mansoni hypothetical protein 0.0011 0.0001 0.0001
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0199 0.0333 0.0345
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0016 0.0042
Schistosoma mansoni cytochrome P450 0.0011 0.0001 0.0001
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0011 0.0001 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0016 0.0016
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0013 0.0013
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0768 0.134 0.2166
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0013 0.0013
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0057 0.0092
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0011 0.0001 0.0002
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0234 0.0233
Echinococcus multilocularis dna polymerase eta 0.0019 0.0016 0.0016
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0768 0.134 0.2166
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0093 0.0093
Treponema pallidum pyruvate carboxylase subunit B 0.0199 0.0333 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0016 0.0094
Schistosoma mansoni cpg binding protein 0.0031 0.0036 0.0036
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0011 0.0001 0.0002
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0011 0.0001 0.0002
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0011 0.0001 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.0234 0.0234
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0488 0.0845 0.2223
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0087 0.0228
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0016 0.0016
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0011 0.0001 0.0002
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0199 0.0333 0.0876
Mycobacterium ulcerans hypothetical protein 0.0199 0.0333 0.0876
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0199 0.0333 0.0333
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0042 0.0042
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0199 0.0333 0.0538
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0087 0.009
Loa Loa (eye worm) CYP4Cod1 0.002 0.0017 0.0017
Echinococcus granulosus dna polymerase kappa 0.0019 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0019 0.0016 0.0017
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0011 0.0001 0.0002
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.216 0.3798 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.216 0.3798 0.3798
Trichomonas vaginalis set domain proteins, putative 0.0264 0.0448 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0042 0.0043
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0017 0.0027
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0016 0.0016
Brugia malayi Cytochrome P450 family protein 0.0049 0.0069 0.0072
Schistosoma mansoni hypothetical protein 0.0018 0.0013 0.0013
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0488 0.0845 0.1366
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0011 0.0001 0.0002
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0016 0.0016
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0011 0.0001 0.0002
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0073 0.0118
Mycobacterium leprae putative cytochrome p450 0.0011 0.0001 0.0002
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0199 0.0333 0.0333
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0768 0.134 0.3527
Mycobacterium ulcerans pyruvate carboxylase 0.216 0.3798 1
Brugia malayi Cytochrome P450 family protein 0.002 0.0017 0.0017
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0768 0.134 0.134
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0011 0.0001 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0016 0.0016
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.216 0.3798 0.3798
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0199 0.0333 0.0333
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0488 0.0845 0.0844
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0199 0.0333 0.0333
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.216 0.3798 0.3798
Trypanosoma brucei cytochrome P450, putative 0.002 0.0017 0.0017
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0185 0.031 0.0815
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0016 0.0016
Trypanosoma brucei unspecified product 0.0019 0.0016 0.0016
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0016 0.0017
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0016 0.0356
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0013 0.0013
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0011 0.0001 0.0002
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0087 0.0086
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0011 0.0001 0.0002
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0768 0.134 0.134
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0199 0.0333 0.0345
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0185 0.031 0.0309
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0011 0.0001 0.0002
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0768 0.134 0.3527
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0199 0.0333 0.0333
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0017 0.0017
Schistosoma mansoni aldehyde dehydrogenase 0.0185 0.031 0.0309
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0016 0.0026
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0967 0.1691 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.0234 0.0233
Wolbachia endosymbiont of Brugia malayi branched-chain alpha-keto acid dehydrogenase subunit E2 0.0199 0.0333 0.0876
Echinococcus multilocularis GPCR, family 2 0.0018 0.0013 0.0013
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.0513 0.083
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0199 0.0333 0.0345
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0011 0.0001 0.0002
Schistosoma mansoni hypothetical protein 0.0038 0.0049 0.0049
Trypanosoma brucei unspecified product 0.0013 0.0006 0.0005
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0016 0.0016
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0199 0.0333 0.0538
Plasmodium falciparum carbamoyl phosphate synthetase 0.0488 0.0845 0.0742
Onchocerca volvulus 0.0049 0.0068 0.1517
Echinococcus granulosus Biotin lipoyl attachment 0.0199 0.0333 0.0333
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0143 0.0234 0.0242
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0199 0.0333 0.0333
Echinococcus granulosus GPCR family 2 0.0018 0.0013 0.0013
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0768 0.134 0.3527
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0013 0.0013
Leishmania major DNA polymerase kappa, putative 0.0019 0.0016 0.0016
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0011 0.0001 0.0002
Leishmania major carboxylase, putative 0.216 0.3798 0.3798
Loa Loa (eye worm) hypothetical protein 0.0239 0.0404 0.0418
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.0234 0.0234
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0042 0.0042
Mycobacterium leprae Conserved hypothetical protein 0.0011 0.0001 0.0002
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.216 0.3798 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0243 0.0412 0.0427
Loa Loa (eye worm) hypothetical protein 0.0038 0.0049 0.0051
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0011 0.0001 0.0002
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.216 0.3798 1
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.0404 0.0404
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0068 0.0071
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0768 0.134 0.3233
Echinococcus multilocularis 0.0011 0.0001 0.0001
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0199 0.0333 0.0333
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0081 0.0081
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0016 0.0042
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0488 0.0845 0.1116
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0768 0.134 0.3527
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0006 0.0005
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0016 0.0016
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0011 0.0001 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0016 0.0016
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0016 0.0016
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.008 0.0083
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0488 0.0845 0.1366
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0011 0.0001 0.0001
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0768 0.134 0.3527
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0143 0.0234 0.0243
Brugia malayi Pre-SET motif family protein 0.0034 0.0042 0.0043
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0033 0.0034
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0199 0.0333 0.0876
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0011 0.0001 0.0002
Brugia malayi cytochrome P450 0.0011 0.0001 0.0001
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0967 0.1691 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0011 0.0001 0.0002
Schistosoma mansoni aspartate carbamoyltransferase 0.0488 0.0845 0.0844
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0042 0.0042
Schistosoma mansoni DNA polymerase eta 0.0019 0.0016 0.0016
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB 0.0199 0.0333 0.0876
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.0234 0.0234
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0006 0.0005
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.216 0.3798 0.3798
Leishmania major cytochrome p450-like protein 0.0011 0.0001 0.0001
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0199 0.0333 0.0333
Toxoplasma gondii hypothetical protein 0.0048 0.0068 0.0068
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0016 0.0016
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.0087 0.0086
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0011 0.0001 0.0002
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0016 0.0026
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0199 0.0333 0.0538
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0016 0.0016
Schistosoma mansoni hypothetical protein 0.0018 0.0013 0.0013
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.5471 0.9649 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0016 0.0042
Toxoplasma gondii aldehyde dehydrogenase 0.0185 0.031 0.0309
Echinococcus granulosus cytochrome P450 2K1 0.0011 0.0001 0.0001
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0011 0.0001 0.0002
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0488 0.0845 0.0844
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0011 0.0001 0.0001
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0768 0.134 0.134
Toxoplasma gondii cytochrome p450 superfamily protein 0.0011 0.0001 0.0001
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0011 0.0001 0.0002
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0016 0.0016
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0042 0.0042
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0087 0.0086
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0199 0.0333 0.0333
Schistosoma mansoni hypothetical protein 0.0188 0.0315 0.0315
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0011 0.0001 0.0002
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0042 0.0042
Onchocerca volvulus 0.0029 0.0033 0.0741
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.0262 0.0689
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0011 0.0001 0.0002
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0016 0.0017
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0011 0.0001 0.0002
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.216 0.3798 0.6141
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0011 0.0001 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0016 0.0016
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0016 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0016 0.0016
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.216 0.3798 1
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0768 0.134 0.3527
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0199 0.0333 0.0333
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0016 0.0016
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0199 0.0333 0.0538
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0011 0.0001 0.0002
Mycobacterium ulcerans aldehyde dehydrogenase 0.0185 0.031 0.0815
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.0392 0.0406
Loa Loa (eye worm) hypothetical protein 0.0055 0.008 0.0083
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0768 0.134 0.3527
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0011 0.0001 0.0002
Toxoplasma gondii carbamoylphosphate synthetase 0.0488 0.0845 0.0844
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0057 0.0092
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0011 0.0001 0.0002
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0016 0.0042
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0011 0.0001 0.0002
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0185 0.031 0.0309
Brugia malayi hypothetical protein 0.0239 0.0404 0.0419
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.216 0.3798 0.3798
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0057 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0042 0.0042
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0011 0.0001 0.0002
Brugia malayi Pre-SET motif family protein 0.0232 0.0392 0.0406
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0013 0.0014
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0199 0.0333 0.0333
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0199 0.0333 0.0333
Onchocerca volvulus 0.0264 0.0448 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0768 0.134 0.2166
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0301 0.0513 0.0513
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0768 0.134 0.134
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0011 0.0001 0.0001
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0016 0.0016
Schistosoma mansoni hypothetical protein 0.0018 0.0013 0.0013
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0011 0.0001 0.0002

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.026 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.995 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.853 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.834 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.829 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.817 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.812 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.811 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.78 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.759 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.628 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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