Detailed information for compound 173110

Basic information

Technical information
  • TDR Targets ID: 173110
  • Name: 2-[(4-chloro-2-ethoxyphenoxy)methyl]-4-[(4-ch lorophenyl)methyl]morpholine
  • MW: 396.308 | Formula: C20H23Cl2NO3
  • H donors: 0 H acceptors: 0 LogP: 4.71 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(Cl)ccc1OCC1OCCN(C1)Cc1ccc(cc1)Cl
  • InChi: 1S/C20H23Cl2NO3/c1-2-24-20-11-17(22)7-8-19(20)26-14-18-13-23(9-10-25-18)12-15-3-5-16(21)6-4-15/h3-8,11,18H,2,9-10,12-14H2,1H3
  • InChiKey: FHSVCFFZCCHKTQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-chloro-2-ethoxy-phenoxy)methyl]-4-[(4-chlorophenyl)methyl]morpholine
  • 4-(4-chlorobenzyl)-2-[(4-chloro-2-ethoxy-phenoxy)methyl]morpholine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dopamine receptor D4 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
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0011 0.0015
Entamoeba histolytica hypothetical protein 0.0042 0.0049 0.0224
Echinococcus granulosus dnaJ subfamily B 0.043 0.0714 0.0714
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB 0.0205 0.0328 0.0859
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0066 0.1131
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0792 0.1335 0.1333
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0503 0.084 0.2123
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.4228 0.723 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0152 0.2907
Onchocerca volvulus Huntingtin homolog 0.0129 0.0197 0.5903
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0011 0.0025
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0036 0.009
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2225 0.3795 0.3793
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0011 0.0011
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0011 0.0015
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0792 0.1335 0.3514
Trichomonas vaginalis hypothetical protein 0.0049 0.0061 0.1032
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0071 0.0073
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0043 0.0657
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0011 0.0015
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0205 0.0328 0.0326
Echinococcus granulosus neuropeptide s receptor 0.0973 0.1646 0.1646
Echinococcus granulosus rab protein 3 0.0049 0.0061 0.0061
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0205 0.0328 0.0338
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0205 0.0328 0.0338
Loa Loa (eye worm) hypothetical protein 0.0248 0.0403 0.0417
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0152 0.2907
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.2225 0.3795 1
Schistosoma mansoni kinase 0.0053 0.0068 0.0066
Onchocerca volvulus Huntingtin homolog 0.0129 0.0197 0.5903
Trichomonas vaginalis glucosylceramidase, putative 0.0302 0.0495 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0037 0.0037
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0792 0.1335 0.2157
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0037 0.0037
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2225 0.3795 0.3794
Brugia malayi Carboxyl transferase domain containing protein 0.5638 0.9649 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0075 0.0073
Loa Loa (eye worm) hypothetical protein 0.002 0.0011 0.0012
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.0317 0.6314
Schistosoma mansoni cpg binding protein 0.0032 0.0031 0.0029
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0792 0.1335 0.3443
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0205 0.0328 0.0859
Schistosoma mansoni hypothetical protein 0.0042 0.0049 0.0047
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0205 0.0328 0.0527
Echinococcus multilocularis leucine rich repeat serine:threonine protein 0.1157 0.1962 0.1962
Echinococcus multilocularis microtubule associated protein 2 0.1448 0.246 0.246
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.0061 0.0096
Echinococcus granulosus intermediate filament protein 0.0028 0.0025 0.0025
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0302 0.0495 0.0513
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0011 0.0015
Schistosoma mansoni hypothetical protein 0.043 0.0714 0.0712
Trichomonas vaginalis glucosylceramidase, putative 0.0209 0.0335 0.6693
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0205 0.0328 0.0372
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0086 0.0221
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.0043 0.0108
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.0152 0.0152
Toxoplasma gondii carbamoylphosphate synthetase 0.0503 0.084 0.0838
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0205 0.0328 0.0527
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0043 0.0043
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.0317 0.6314
Schistosoma mansoni hypothetical protein 0.0035 0.0037 0.0035
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.0167 0.0173
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0011 0.0009
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0792 0.1335 0.3514
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0205 0.0328 0.0326
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.2225 0.3795 1
Echinococcus granulosus cytochrome P450 2K1 0.0015 0.0002 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0011 0.0011
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0011 0.0011
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0792 0.1335 0.3514
Schistosoma mansoni hypothetical protein 0.0035 0.0037 0.0035
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0043 0.0041
Schistosoma mansoni inositol monophosphatase 0.0039 0.0043 0.0041
Echinococcus multilocularis dnaJ subfamily B 0.043 0.0714 0.0714
Echinococcus multilocularis neuropeptide s receptor 0.0973 0.1646 0.1646
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0792 0.1335 0.3514
Trichomonas vaginalis glucosylceramidase, putative 0.0302 0.0495 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0043 0.0657
Entamoeba histolytica hypothetical protein 0.0049 0.0061 0.0298
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0018 0.0018
Echinococcus granulosus geminin 0.0376 0.0622 0.0622
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0064 0.0064
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.5842 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.0152 0.0158
Entamoeba histolytica serine/threonine protein kinase, putative 0.0102 0.0152 0.084
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0129 0.0197 0.0205
Schistosoma mansoni cpg binding protein 0.0032 0.0031 0.0029
Trichomonas vaginalis glucosylceramidase, putative 0.0302 0.0495 1
Echinococcus granulosus dna polymerase eta 0.002 0.0011 0.0011
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0111 0.0167 0.0171
Wolbachia endosymbiont of Brugia malayi branched-chain alpha-keto acid dehydrogenase subunit E2 0.0205 0.0328 0.0758
Trypanosoma brucei acetyl-CoA carboxylase 0.5842 1 1
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0792 0.1335 0.3233
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.0152 0.015
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.0167 0.0171
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0205 0.0328 0.0326
Onchocerca volvulus Mitochondrial Rho GTPase homolog 0.0049 0.0061 0.1242
Trypanosoma cruzi Rab-like 5, small G protein 0.0049 0.0061 0.0096
Echinococcus granulosus microtubule associated protein 2 0.1448 0.246 0.246
Loa Loa (eye worm) hypothetical protein 0.0205 0.0328 0.034
Trypanosoma brucei unspecified product 0.1463 0.2487 0.2486
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0037 0.0037
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0011 0.0009
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0503 0.084 0.0838
Leishmania major DNA polymerase eta, putative 0.002 0.0011 0.0009
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0503 0.084 0.0838
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0792 0.1335 0.3514
Loa Loa (eye worm) hypothetical protein 0.0035 0.0037 0.0038
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0503 0.084 0.0839
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.0036 0.009
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0205 0.0328 0.0328
Echinococcus granulosus Biotin lipoyl attachment 0.0205 0.0328 0.0328
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0205 0.0328 0.0326
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0011 0.001
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2225 0.3795 0.3793
Brugia malayi intermediate filament protein 0.0028 0.0025 0.0024
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0011 0.0011
Trichomonas vaginalis glucosylceramidase, putative 0.0302 0.0495 1
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0205 0.0328 0.0859
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0302 0.0495 0.0511
Echinococcus multilocularis cpg binding protein 0.0032 0.0031 0.0031
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.0317 0.6314
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0205 0.0328 0.0372
Schistosoma mansoni inositol monophosphatase 0.0039 0.0043 0.0041
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2225 0.3795 0.6137
Trypanosoma brucei Rab-like 5, small G protein 0.0049 0.0061 0.0061
Onchocerca volvulus Glucosylceramidase homolog 0.0198 0.0317 1
Schistosoma mansoni pyruvate carboxylase 0.2225 0.3795 0.3793
Trypanosoma cruzi acetyl-CoA carboxylase 0.3617 0.6182 1
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.0317 0.6314
Loa Loa (eye worm) hypothetical protein 0.0076 0.0106 0.011
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0503 0.084 0.1355
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0152 0.2907
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0024 0.0018 0.0042
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2225 0.3795 0.3794
Leishmania major cytochrome p450-like protein 0.0024 0.0018 0.0016
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0792 0.1335 0.3514
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0086 0.0086
Echinococcus multilocularis ras-related protein rab-5 0.0049 0.0061 0.0061
Schistosoma mansoni aspartate carbamoyltransferase 0.0503 0.084 0.0838
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.5842 1 1
Schistosoma mansoni hypothetical protein 0.0076 0.0106 0.0104
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0205 0.0328 0.0527
Brugia malayi CXXC zinc finger family protein 0.003 0.0028 0.0027
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0205 0.0328 0.0327
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0018 0.0025
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0205 0.0328 0.0859
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0152 0.2907
Echinococcus granulosus lamin 0.0028 0.0025 0.0025
Entamoeba histolytica hypothetical protein 0.0042 0.0049 0.0224
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0205 0.0328 0.0527
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0011 0.0009
Echinococcus granulosus GTP binding protein Parf 0.0049 0.0061 0.0061
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0205 0.0328 0.0326
Leishmania major acetyl-CoA carboxylase, putative 0.5842 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0086 0.0086
Entamoeba histolytica hypothetical protein 0.0042 0.0049 0.0224
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0011 0.0012
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0049 0.0047
Leishmania major carboxylase, putative 0.2225 0.3795 0.3793
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0205 0.0328 0.0327
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.2225 0.3795 0.3795
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0205 0.0328 0.0328
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0205 0.0328 0.0326
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.2225 0.3795 0.3795
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.0106 0.0108
Echinococcus multilocularis musashi 0.0028 0.0025 0.0025
Entamoeba histolytica hypothetical protein 0.0049 0.0061 0.0298
Onchocerca volvulus 0.0051 0.0064 0.1317
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0037 0.0036
Echinococcus multilocularis dna polymerase kappa 0.002 0.0011 0.0011
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0043 0.0043
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0205 0.0328 0.0326
Loa Loa (eye worm) hypothetical protein 0.0111 0.0167 0.0173
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0025 0.0026
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0205 0.0328 0.0326
Plasmodium falciparum carbamoyl phosphate synthetase 0.0503 0.084 0.1086
Echinococcus multilocularis lamin dm0 0.0028 0.0025 0.0025
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0792 0.1335 0.3514
Loa Loa (eye worm) hypothetical protein 0.0049 0.0061 0.0064
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0043 0.0043
Brugia malayi Cytochrome P450 family protein 0.0024 0.0018 0.0016
Brugia malayi Inositol-1 0.0039 0.0043 0.0043
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0152 0.2907
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2225 0.3795 0.6137
Giardia lamblia Kinase, PLK 0.0102 0.0152 0.084
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0205 0.0328 0.0859
Schistosoma mansoni microtubule-associated protein tau 0.1448 0.246 0.2459
Trypanosoma brucei polo-like protein kinase 0.0102 0.0152 0.0151
Mycobacterium ulcerans hypothetical protein 0.0205 0.0328 0.0859
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.2225 0.3795 1
Treponema pallidum pyruvate carboxylase subunit B 0.0205 0.0328 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0028 0.0029
Mycobacterium ulcerans pyruvate carboxylase 0.2225 0.3795 1
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0086 0.0084
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0205 0.0328 0.0326
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0792 0.1335 0.1333
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0011 0.001
Loa Loa (eye worm) TKL/LRRK protein kinase 0.1157 0.1962 0.2033
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0025 0.0026
Echinococcus granulosus lamin dm0 0.0028 0.0025 0.0025
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0011 0.0011
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.2225 0.3795 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0011 0.0011
Leishmania major hypothetical protein, conserved 0.0049 0.0061 0.0059
Mycobacterium leprae Probable biotinylated protein homolog TB7.3 0.0205 0.0328 0.0859
Loa Loa (eye worm) inositol-1 0.0039 0.0043 0.0045
Schistosoma mansoni hypothetical protein 0.0035 0.0037 0.0035
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0011 0.0025
Loa Loa (eye worm) hypothetical protein 0.0049 0.0061 0.0064
Schistosoma mansoni lamin 0.0028 0.0025 0.0023
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0066 0.1131
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0152 0.2907
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0205 0.0328 0.0527
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0086 0.0221
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0852 0.1438 0.1438
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0792 0.1335 0.1335
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.2225 0.3795 0.3793
Trichomonas vaginalis GTP binding protein rare7l, putative 0.0049 0.0061 0.1032
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0011 0.0011
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0503 0.084 0.2208
Loa Loa (eye worm) hypothetical protein 0.0028 0.0024 0.0025
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.5842 1 1
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0792 0.1335 0.1333
Onchocerca volvulus 0.0049 0.0061 0.1242
Trichomonas vaginalis glucosylceramidase, putative 0.0302 0.0495 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0086 0.0084
Echinococcus granulosus cpg binding protein 0.0032 0.0031 0.0031
Leishmania major carbamoyl-phosphate synthase, putative 0.0503 0.084 0.0838
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0205 0.0328 0.0372
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0792 0.1335 0.1335
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.0152 0.435
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0792 0.1335 0.2157
Schistosoma mansoni hypothetical protein 0.0051 0.0064 0.0061
Trichomonas vaginalis glucosylceramidase, putative 0.0209 0.0335 0.6693
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0205 0.0328 0.0326
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0011 0.0011
Brugia malayi hypothetical protein 0.0248 0.0403 0.0415
Brugia malayi hypothetical protein 0.0049 0.0061 0.0061
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0205 0.0328 0.0527
Brugia malayi hypothetical protein 0.0042 0.0049 0.0049
Echinococcus multilocularis Biotin lipoyl attachment 0.0205 0.0328 0.0328
Schistosoma mansoni hypothetical protein 0.0376 0.0622 0.062
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0015 0.0002 0.0001
Echinococcus multilocularis GPCR, family 2 0.0035 0.0037 0.0037
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide acyltransferase E2 component 0.0205 0.0328 0.0758
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0205 0.0328 0.0327
Echinococcus granulosus dna polymerase kappa 0.002 0.0011 0.0011
Trichomonas vaginalis glucosylceramidase, putative 0.0302 0.0495 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0011 0.0011
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.5638 0.9649 1
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0018 0.0025
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0086 0.0084
Schistosoma mansoni cpg binding protein 0.003 0.0028 0.0026
Brugia malayi Cytochrome P450 family protein 0.0024 0.0018 0.0016
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0152 0.0243
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0205 0.0328 0.0372
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0037 0.0038
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0152 0.0243
Echinococcus multilocularis GTP binding protein Parf 0.0049 0.0061 0.0061
Echinococcus multilocularis neuropeptide receptor A26 0.0973 0.1646 0.1646
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0792 0.1335 0.3514
Echinococcus multilocularis 0.0015 0.0002 0.0002
Loa Loa (eye worm) cytochrome P450 0.0015 0.0002 0.0002
Echinococcus granulosus survival motor neuron protein 1 0.0248 0.0403 0.0403
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0503 0.084 0.1086
Leishmania major hypothetical protein, conserved 0.0049 0.0061 0.0059
Entamoeba histolytica hypothetical protein 0.0042 0.0049 0.0224
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0037 0.0037
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0043 0.019
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.4228 0.723 1
Echinococcus granulosus neuropeptide receptor A26 0.0973 0.1646 0.1646
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0996 0.1686 1
Toxoplasma gondii pyruvate carboxylase 0.2225 0.3795 0.3793
Loa Loa (eye worm) hypothetical protein 0.0129 0.0197 0.0205
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0037 0.0036
Schistosoma mansoni hypothetical protein 0.0035 0.0037 0.0035
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0205 0.0328 0.0328
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0003 0.0001
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0792 0.1335 0.1333
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0792 0.1335 0.3514
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.0317 0.6314
Echinococcus multilocularis lamin 0.0028 0.0025 0.0025
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0049 0.0049
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0086 0.0084
Schistosoma mansoni acetyl-CoA carboxylase 0.5842 1 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.2225 0.3795 1
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.0317 0.6314
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0086 0.0221
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0996 0.1686 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.2225 0.3795 1
Brugia malayi RAB, member of RAS oncogene family-like 5 0.0049 0.0061 0.0061
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0025 0.0024
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0011 0.0011
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0043 0.0067
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0792 0.1335 0.3514
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0205 0.0328 0.0327
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0205 0.0328 0.0372
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0043 0.0041
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0011 0.0011
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0043 0.0067
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0043 0.0657
Brugia malayi hypothetical protein 0.0129 0.0197 0.0202
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.0152 0.0155
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0011 0.0011
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.0152 0.015
Chlamydia trachomatis biotin carboxylase 0.2021 0.3443 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0086 0.0221
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.2225 0.3795 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0011 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.0061 0.0096
Loa Loa (eye worm) hypothetical protein 0.0205 0.0328 0.034
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0011 0.0025
Schistosoma mansoni lamin 0.0028 0.0025 0.0023
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0205 0.0328 0.0859
Leishmania major DNA polymerase kappa, putative 0.002 0.0011 0.0009
Schistosoma mansoni survival motor neuron protein 0.0051 0.0064 0.0061
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0792 0.1335 0.3514
Schistosoma mansoni hypothetical protein 0.0376 0.0622 0.062
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0049 0.0049
Trypanosoma brucei unspecified product 0.002 0.0011 0.0011
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0205 0.0328 0.0328
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0792 0.1335 0.2157
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0061 0.1032
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0205 0.0328 0.0326
Schistosoma mansoni DNA polymerase eta 0.002 0.0011 0.0009
Loa Loa (eye worm) hypothetical protein 0.0028 0.0025 0.0026
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0205 0.0328 0.0326
Echinococcus granulosus leucine rich repeat serine:threonine protein 0.1165 0.1975 0.1975
Loa Loa (eye worm) hypothetical protein 0.0049 0.0061 0.0064
Echinococcus multilocularis dna polymerase eta 0.002 0.0011 0.0011
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0003 0.0003
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.0317 0.6314
Brugia malayi Protein kinase domain containing protein 0.1157 0.1962 0.2031
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0152 0.2907
Echinococcus multilocularis rab protein 3 0.0049 0.0061 0.0061
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0011 0.0011
Echinococcus granulosus GPCR family 2 0.0035 0.0037 0.0037
Loa Loa (eye worm) CYP4Cod1 0.0024 0.0018 0.0018
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0011 0.0011
Brugia malayi Ras-related protein ypt4 0.0049 0.0061 0.0061
Trypanosoma brucei cytochrome P450, putative 0.0024 0.0018 0.0017
Loa Loa (eye worm) hypothetical protein 0.0205 0.0328 0.034
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0205 0.0328 0.0338
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0086 0.0084
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0205 0.0328 0.0527
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0205 0.0328 0.0326
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.0061 0.0096
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0792 0.1335 0.1334
Brugia malayi Cytochrome P450 family protein 0.0055 0.0071 0.0071
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0018 0.0018
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0503 0.084 0.1355
Echinococcus multilocularis geminin 0.0376 0.0622 0.0622
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0011 0.0011
Onchocerca volvulus 0.003 0.0028 0.0112
Echinococcus multilocularis survival motor neuron protein 1 0.0248 0.0403 0.0403
Schistosoma mansoni hypothetical protein 0.0049 0.0061 0.0059
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0011 0.0015
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0011 0.0011
Schistosoma mansoni intermediate filament proteins 0.0028 0.0025 0.0023

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Compound was tested for its affinity towards human Dopamine receptor D2 at 10 uM; No affinity was observed ChEMBL. 15163190
Activity (binding) 0 Compound was tested for its affinity towards human Dopamine receptor D2 at 10 uM; No affinity was observed ChEMBL. 15163190
Ki (binding) = 0.013 uM In vitro ability of compound to inhibit binding of [3H]-spiperone to human Dopamine receptor D4 ChEMBL. 15163190
Ki (binding) = 0.013 uM In vitro ability of compound to inhibit binding of [3H]-spiperone to human Dopamine receptor D4 ChEMBL. 15163190

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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