Detailed information for compound 166216

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 455.717 | Formula: C24H41NO3S2
  • H donors: 1 H acceptors: 3 LogP: 8.65 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCSC(=O)CS(=O)(=O)Nc1c(cccc1C(C)C)C(C)C
  • InChi: 1S/C24H41NO3S2/c1-6-7-8-9-10-11-12-13-17-29-23(26)18-30(27,28)25-24-21(19(2)3)15-14-16-22(24)20(4)5/h14-16,19-20,25H,6-13,17-18H2,1-5H3
  • InChiKey: GBQZIZIIHWMRDZ-UHFFFAOYSA-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
Oryctolagus cuniculus Acyl-CoA:cholesterol acyltransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133487 All targets in OG5_133487
Schistosoma japonicum ko:K00637 sterol O-acyltransferase [EC2.3.1.26], putative Get druggable targets OG5_133487 All targets in OG5_133487
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133487 All targets in OG5_133487
Echinococcus granulosus sterol O acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
Echinococcus multilocularis sterol O acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
Schistosoma mansoni sterol O-acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum diacylglycerol O-acyltransferase 1 Acyl-CoA:cholesterol acyltransferase   305 aa 278 aa 21.9 %
Neospora caninum sterol O-acyltransferase, putative Acyl-CoA:cholesterol acyltransferase   305 aa 258 aa 20.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0073 0.0462 0.2522
Loa Loa (eye worm) hypothetical protein 0.0026 0.0119 0.0127
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0088 0.0478
Loa Loa (eye worm) hypothetical protein 0.0021 0.0088 0.0093
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0013 0.0011
Loa Loa (eye worm) hypothetical protein 0.0105 0.0693 0.0756
Echinococcus multilocularis paired box protein pax 6 0.0024 0.011 0.06
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0041 0.0232 0.1234
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0026 0.0119 0.0651
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0013 0.0069
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0119 0.0119
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.028 0.195 0.2134
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0013 0.0069
Echinococcus granulosus calpain A 0.0073 0.0462 0.2522
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0119 0.0128
Trichomonas vaginalis porcupine, putative 0.0026 0.0119 0.0119
Mycobacterium tuberculosis Conserved protein 0.0041 0.0231 0.0231
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0088 0.0478
Toxoplasma gondii ABC1 family protein 0.0041 0.0231 0.0893
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0013 0.0069
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0003 0.0017
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.009 0.058 0.3165
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0026 0.0119 0.0366
Loa Loa (eye worm) hypothetical protein 0.0041 0.0231 0.0249
Brugia malayi steroid hormone receptor 0.0011 0.0013 0.0011
Echinococcus multilocularis calpain A 0.0073 0.0462 0.2522
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.007 0.0437 0.2382
Loa Loa (eye worm) hypothetical protein 0.0105 0.0693 0.0756
Schistosoma mansoni lipoxygenase 0.0089 0.0578 0.3149
Schistosoma mansoni sterol O-acyltransferase 1 0.0264 0.1834 1
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0119 0.0119
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0026 0.0119 0.0651
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.001
Schistosoma mansoni paired box protein pax-6 0.0024 0.011 0.06
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0026 0.0119 0.0651
Onchocerca volvulus 0.0247 0.1713 0.1865
Schistosoma mansoni paired box protein pax-1-related 0.0024 0.011 0.06
Onchocerca volvulus 0.0021 0.0088 0.0082
Loa Loa (eye worm) hypothetical protein 0.0142 0.0954 0.1041
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0013 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0105 0.0693 0.0693
Schistosoma mansoni coup transcription factor 0.0011 0.0013 0.0069
Onchocerca volvulus 0.0247 0.1713 0.1865
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0026 0.0119 0.0127
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0088 0.0478
Onchocerca volvulus 0.0041 0.0231 0.0239
Trypanosoma cruzi glycerol uptake protein, putative 0.0026 0.0119 0.2425
Mycobacterium tuberculosis Conserved protein 0.0041 0.0231 0.0231
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0119 0.2392
Echinococcus multilocularis sterol O acyltransferase 1 0.0264 0.1834 1
Loa Loa (eye worm) vab-3 0.0024 0.011 0.0117
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0088 0.0093
Trypanosoma cruzi glycerol uptake protein, putative 0.0026 0.0119 0.2425
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0013 0.0069
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1257 0.1257
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0013 0.001
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.001
Loa Loa (eye worm) hypothetical protein 0.0019 0.0072 0.0076
Brugia malayi diacylglycerol acyltransferase 0.0026 0.0119 0.0128
Loa Loa (eye worm) MBOAT family protein 0.0026 0.0119 0.0127
Schistosoma mansoni calpain (C02 family) 0.0021 0.0083 0.0455
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0013 0.0069
Trypanosoma cruzi glycerol uptake protein, putative 0.0026 0.0119 0.2425
Echinococcus granulosus paired box protein pax 6 0.0024 0.011 0.06
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.001
Schistosoma mansoni calpain-7 (C02 family) 0.0021 0.0083 0.0455
Entamoeba histolytica hypothetical protein 0.0026 0.0119 0.2425
Leishmania major hypothetical protein, conserved 0.0026 0.0119 0.2425
Onchocerca volvulus 0.0142 0.0954 0.1032
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0247 0.1713 0.1874
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0231 0.1226
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0088 0.0478
Loa Loa (eye worm) MBOAT family protein 0.0026 0.0119 0.0127
Echinococcus multilocularis paired box protein pax 1 0.0024 0.011 0.06
Schistosoma mansoni rab6-interacting 0.0021 0.0088 0.0478
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1257 0.1257
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0026 0.0119 0.0127
Brugia malayi beta-lactamase family protein 0.0041 0.0231 0.025
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0231 0.9935
Leishmania major hypothetical protein, conserved 0.0041 0.0231 0.9935
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0199 0.1365 0.1365
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0026 0.0119 0.0127
Brugia malayi calpain 5 0.0021 0.0083 0.0089
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0199 0.1365 0.1365
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0065 0.0065
Entamoeba histolytica vacuolar protein sorting 26 0.0026 0.0119 0.2425
Onchocerca volvulus 0.1277 0.913 1
Brugia malayi MBOAT family protein 0.0026 0.0119 0.0128
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0199 0.1365 1
Trichomonas vaginalis glucosylceramidase, putative 0.028 0.195 0.195
Leishmania major glycerol uptake protein, putative 0.0026 0.0119 0.2425
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0231 0.1258
Loa Loa (eye worm) hypothetical protein 0.0105 0.0693 0.0756
Loa Loa (eye worm) hypothetical protein 0.0142 0.0954 0.1041
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.028 0.195 0.2133
Brugia malayi MBOAT family protein 0.0026 0.0119 0.0128
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0263 0.183 0.183
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0026 0.0119 0.0651
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0041 0.0232 0.0251
Loa Loa (eye worm) hypothetical protein 0.0049 0.0287 0.0311
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0013 0.0069
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0013 0.0069
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1257 0.1257
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0199 0.1365 0.1365
Loa Loa (eye worm) hypothetical protein 0.007 0.0437 0.0475
Onchocerca volvulus 0.0049 0.0287 0.0301
Echinococcus granulosus calpain 7 C02 family 0.0021 0.0083 0.0455
Onchocerca volvulus 0.0247 0.1713 0.1865
Trichomonas vaginalis glucosylceramidase, putative 0.028 0.195 0.195
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0119 0.0119
Brugia malayi paired box protein 0.0024 0.011 0.0118
Loa Loa (eye worm) hypothetical protein 0.0264 0.1834 0.2006
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0013 0.0069
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0231 0.0231
Loa Loa (eye worm) apoptosis regulator protein 0.009 0.058 0.0632
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0013 0.001
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0119 0.0128
Echinococcus multilocularis ornithine aminotransferase 0.0199 0.1365 0.7443
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0199 0.1365 0.1365
Schistosoma mansoni rab6-interacting 0.0021 0.0088 0.0478
Schistosoma mansoni polycystin 1-related 0.0021 0.0088 0.0478
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0013 0.0069
Echinococcus multilocularis RUN 0.0021 0.0088 0.0478
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0026 0.0119 0.2425
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0142 0.0954 0.1041
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0119 0.0119
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0231 0.0231
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0231 0.0231
Onchocerca volvulus 0.0026 0.0119 0.0116
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0247 0.1713 0.1873
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.009 0.058 0.3165
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0026 0.0119 0.2425
Echinococcus multilocularis cpg binding protein 0.0033 0.0171 0.0931
Onchocerca volvulus 0.0247 0.1713 0.1865
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0199 0.1365 0.1365
Mycobacterium ulcerans hypothetical protein 0.0026 0.0119 0.0119
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0013 0.0069
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0065 0.0065
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0128 0.0855 0.466
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0247 0.1713 0.1874
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0013 0.0011
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0119 0.0119
Leishmania major glycerol uptake protein, putative 0.0026 0.0119 0.2425
Echinococcus multilocularis calpain 7 (C02 family) 0.0021 0.0083 0.0455
Brugia malayi calpain family protein 1 0.007 0.0437 0.0476
Schistosoma mansoni loxhd1 0.0021 0.0088 0.0478
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0013 0.0011
Loa Loa (eye worm) calpain 5 0.0021 0.0083 0.0088
Loa Loa (eye worm) hypothetical protein 0.0142 0.0954 0.1041
Schistosoma mansoni cpg binding protein 0.0033 0.0171 0.0931
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0199 0.1365 0.1365
Brugia malayi calpain family protein 1 0.007 0.0437 0.0476
Mycobacterium ulcerans hypothetical protein 0.0041 0.0231 0.0231
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0088 0.0478
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0026 0.0119 0.0651
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0199 0.1365 0.1365
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.1328 0.1328
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0013 0.0069
Loa Loa (eye worm) pax transcription factor protein 2 0.1277 0.913 1
Echinococcus granulosus cpg binding protein 0.0033 0.0171 0.0931
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0231 0.0231
Onchocerca volvulus 0.0031 0.0158 0.0159
Loa Loa (eye worm) hypothetical protein 0.0026 0.0119 0.0127
Leishmania major glycerol uptake protein, putative 0.0026 0.0119 0.2425
Brugia malayi beta-lactamase family protein 0.0041 0.0231 0.025
Trichomonas vaginalis glucosylceramidase, putative 0.028 0.195 0.195
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0231 0.0231
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0013 0.0011
Brugia malayi Gooseberry protein 0.0024 0.011 0.0118
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0073 0.0462 0.2522
Onchocerca volvulus 0.0105 0.0693 0.0746
Echinococcus granulosus o acyltransferase membrane bound domain 0.0026 0.0119 0.0651
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0041 0.0232 1
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.009 0.058 0.0633
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.001
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1257 0.1257
Leishmania major glycerol uptake protein, putative 0.0026 0.0119 0.2425
Brugia malayi Pax transcription factor protein 2 0.1277 0.913 1
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0013 0.0069
Brugia malayi 'Paired box' domain containing protein 0.0024 0.011 0.0118
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.001
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0041 0.0232 1
Schistosoma mansoni hypothetical protein 0.0021 0.0088 0.0478
Brugia malayi hypothetical protein 0.0021 0.0088 0.0094
Loa Loa (eye worm) hypothetical protein 0.0105 0.0693 0.0756
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.001
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0128 0.0855 0.466
Loa Loa (eye worm) calpain 0.0021 0.0083 0.0088
Mycobacterium tuberculosis Probable aminotransferase 0.1398 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0013 0.0069
Onchocerca volvulus 0.0142 0.0954 0.1032
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0142 0.0954 0.1042
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0019 0.0072 0.0076
Echinococcus granulosus paired box protein pax 6 0.0024 0.011 0.06
Loa Loa (eye worm) hypothetical protein 0.0041 0.0231 0.0249
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0041 0.0232 0.0251
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0119 0.2392
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0073 0.0462 0.2522
Loa Loa (eye worm) hypothetical protein 0.0019 0.0072 0.0076
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0026 0.0119 0.0651
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0119 0.2392
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0026 0.0119 0.2425
Trichomonas vaginalis esterase, putative 0.0041 0.0231 0.0231
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0026 0.0119 0.0651
Onchocerca volvulus 0.0247 0.1713 0.1865
Echinococcus granulosus calpain 0.0021 0.0083 0.0455
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.1398 1 1
Schistosoma mansoni lipoxygenase 0.0128 0.0855 0.466
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0231 0.0231
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0013 0.0069
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0247 0.1713 0.1874
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0026 0.0119 0.0651
Brugia malayi hypothetical protein 0.0142 0.0954 0.1042
Trichomonas vaginalis glucosylceramidase, putative 0.028 0.195 0.195
Onchocerca volvulus 0.0247 0.1713 0.1865
Echinococcus multilocularis paired box protein pax 6 0.0024 0.011 0.06
Echinococcus granulosus ornithine aminotransferase 0.0199 0.1365 0.7443
Schistosoma mansoni paired box protein pax-6 0.0024 0.011 0.06
Loa Loa (eye worm) hhat protein 0.0026 0.0119 0.0127
Echinococcus multilocularis paired box protein pax 6 0.0024 0.011 0.06
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0013 0.0011
Echinococcus granulosus calpain 5 0.0021 0.0083 0.0455
Plasmodium vivax calpain, putative 0.0021 0.0083 0.0088
Echinococcus multilocularis calpain 5 0.0021 0.0083 0.0455
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.001
Treponema pallidum alginate O-acetylation protein (algI) 0.0026 0.0119 1
Onchocerca volvulus 0.0021 0.0088 0.0082
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0199 0.1365 0.1493
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0199 0.1365 0.7443
Onchocerca volvulus 0.0041 0.0231 0.0239
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.009 0.058 0.3165
Mycobacterium leprae Probable lipase LipE 0.0041 0.0231 0.0231
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0013 0.0011
Brugia malayi CXXC zinc finger family protein 0.0031 0.0158 0.0171
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0013 0.001
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0359 0.1921
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0041 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0142 0.0954 0.1041
Echinococcus multilocularis calpain 0.0021 0.0083 0.0455
Onchocerca volvulus 0.0247 0.1713 0.1865
Trichomonas vaginalis transmembrane protein nessy, putative 0.0026 0.0119 0.0119
Echinococcus granulosus Aminotransferase class III 0.0199 0.1365 0.7443
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0119 0.0119
Schistosoma mansoni hypothetical protein 0.009 0.058 0.3165
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0119 0.0119
Schistosoma mansoni paired box protein pax-6 0.0024 0.011 0.06
Brugia malayi MBOAT family protein 0.0026 0.0119 0.0128
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0013 0.0069
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0231 0.0231
Onchocerca volvulus 0.0041 0.0231 0.0239
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0013 0.0069
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0013 0.0069
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0026 0.0119 0.0651
Onchocerca volvulus 0.0024 0.011 0.0107
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0013 0.0011
Loa Loa (eye worm) hypothetical protein 0.0026 0.0119 0.0127
Brugia malayi hypothetical protein 0.0142 0.0954 0.1042
Onchocerca volvulus 0.0024 0.011 0.0107
Schistosoma mansoni cpg binding protein 0.0031 0.0158 0.0862
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0231 0.1258
Loa Loa (eye worm) calpain family protein 1 0.0049 0.0287 0.0311
Brugia malayi hypothetical protein 0.0105 0.0693 0.0757
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0013 0.0069
Schistosoma mansoni hypothetical protein 0.009 0.058 0.3165
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0231 0.0249
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.001
Brugia malayi LBP/BPI 0.0105 0.0693 0.0757
Echinococcus granulosus paired box gene 3/7 (eyeless, eyegone, twin of eyeless) 0.0024 0.011 0.06
Schistosoma mansoni hypothetical protein 0.0026 0.0119 0.0651
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0119 0.0119
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0231 0.1258
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0199 0.1365 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0013 0.0069
Brugia malayi paired box pox-meso protein 0.0024 0.011 0.0118
Echinococcus multilocularis ornithine aminotransferase 0.0199 0.1365 0.7443
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0088 0.0121
Loa Loa (eye worm) hypothetical protein 0.0024 0.011 0.0117
Loa Loa (eye worm) hypothetical protein 0.0142 0.0954 0.1041
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0199 0.1365 0.1365
Brugia malayi nuclear receptor NHR-88 0.0011 0.0013 0.0011
Brugia malayi Hhat protein 0.0026 0.0119 0.0128
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0119 0.0119
Echinococcus multilocularis hypothetical protein 0.0021 0.0083 0.0455
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0026 0.0119 0.0651
Onchocerca volvulus 0.0247 0.1713 0.1865
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0026 0.0119 0.0651
Trichomonas vaginalis glucosylceramidase, putative 0.028 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0024 0.011 0.0117
Mycobacterium tuberculosis Conserved protein 0.0041 0.0231 0.0231
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0013 0.0011
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0231 0.0231
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0199 0.1365 0.1365
Loa Loa (eye worm) hypothetical protein 0.0049 0.0287 0.0311
Loa Loa (eye worm) hypothetical protein 0.0024 0.011 0.0117
Brugia malayi hypothetical protein 0.0021 0.0088 0.0094
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0013 0.0069
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0231 0.0231
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0026 0.0119 0.0651
Trypanosoma brucei glycerol uptake protein, putative 0.0026 0.0119 0.2425
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0013 0.0011
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0021 0.0088 0.0093
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0199 0.1365 0.1365
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.007 0.0437 0.0475
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.1328 0.1328
Loa Loa (eye worm) MBOAT family protein 0.0026 0.0119 0.0127
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0013 0.0069
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0041 0.0232 0.025
Loa Loa (eye worm) hypothetical protein 0.0026 0.0119 0.0127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0013 0.001
Loa Loa (eye worm) hypothetical protein 0.0019 0.0072 0.0076
Loa Loa (eye worm) hypothetical protein 0.0247 0.1713 0.1873
Schistosoma mansoni zinc finger protein 0.0026 0.0119 0.0651
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.0409 0.2232
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0041 0.0232 0.1263
Echinococcus granulosus sterol O acyltransferase 1 0.0264 0.1834 1
Onchocerca volvulus Glucosylceramidase homolog 0.0184 0.1257 0.1364
Brugia malayi calpain 7 0.0021 0.0083 0.0089
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0013 0.0011
Schistosoma mansoni cpg binding protein 0.0033 0.0171 0.0931
Schistosoma mansoni Mername-AA248 (C02 family) 0.0021 0.0083 0.0455
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0231 0.0231
Loa Loa (eye worm) paired box protein 0.0024 0.011 0.0117
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0013 0.0069
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0119 0.2392
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0026 0.0119 0.0651
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0041 0.0232 0.0232
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0026 0.0119 0.0651
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0041 0.0232 0.0901
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0013 0.0069
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0041 0.0232 0.1234
Loa Loa (eye worm) hypothetical protein 0.009 0.058 0.0632
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0231 0.1258
Loa Loa (eye worm) hhat protein 0.0026 0.0119 0.0127
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0026 0.0119 0.0366
Echinococcus multilocularis Aminotransferase class III 0.0199 0.1365 0.7443
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0142 0.0954 0.1041
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0013 0.001
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0041 0.0232 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0013 0.0069
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0231 0.0231
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0119 0.0119
Brugia malayi MBOAT family protein 0.0026 0.0119 0.0128
Mycobacterium ulcerans lipase LipD 0.0041 0.0231 0.0231
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0119 0.0119
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0026 0.0119 0.0651
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0026 0.0119 0.0651
Echinococcus granulosus paired box protein pax 1 0.0024 0.011 0.06
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0013 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0013 0.0011
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0231 0.0231
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0073 0.0462 0.2522
Trypanosoma brucei glycerol uptake protein, putative 0.0026 0.0119 0.2425
Entamoeba histolytica hypothetical protein, conserved 0.0026 0.0119 0.2425
Trichomonas vaginalis glucosylceramidase, putative 0.028 0.195 0.195
Loa Loa (eye worm) calpain family protein 1 0.007 0.0437 0.0475
Mycobacterium ulcerans beta-lactamase 0.0041 0.0231 0.0231
Schistosoma mansoni calpain-7 (C02 family) 0.0021 0.0083 0.0455
Onchocerca volvulus Retinal homeobox protein Rx homolog 0.0024 0.011 0.0107
Loa Loa (eye worm) hypothetical protein 0.0041 0.0231 0.0249
Echinococcus multilocularis calpain family protein 1, d 0.0049 0.0287 0.1566
Loa Loa (eye worm) hypothetical protein 0.0041 0.0231 0.0249
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0142 0.0954 0.1042
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0013 0.001
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0013 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0013 0.0011
Loa Loa (eye worm) hypothetical protein 0.0024 0.011 0.0117
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0003 0.0017
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0026 0.0119 0.0651
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0013 0.0069
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1257 0.1257
Brugia malayi vab-3 gene. 0.0024 0.011 0.0118
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.1398 1 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0142 0.0954 0.1042
Echinococcus granulosus o acyltransferase membrane bound domain 0.0026 0.0119 0.0651
Brugia malayi ecdysteroid receptor 0.0011 0.0013 0.0011
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0231 0.9935
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0013 0.0011
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0013 0.0069
Trypanosoma cruzi GUP1, putative 0.0026 0.0119 0.2425
Loa Loa (eye worm) hypothetical protein 0.0238 0.1648 0.1802
Onchocerca volvulus 0.0026 0.0119 0.0117
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0119 0.2392
Plasmodium vivax ornithine aminotransferase, putative 0.0199 0.1365 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0119 0.2392
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0013 0.0011
Brugia malayi Doublecortin family protein 0.0021 0.0088 0.0094
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.009 0.058 0.3165
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0026 0.0119 0.0127
Brugia malayi nuclear hormone receptor 0.0011 0.0013 0.0011
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1257 0.1257
Loa Loa (eye worm) hypothetical protein 0.0041 0.0231 0.0249
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0119 0.0128
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.1398 1 1
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0088 0.0121
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0026 0.0119 0.0651
Loa Loa (eye worm) hypothetical protein 0.0019 0.0072 0.0076
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0088 0.0478
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.009 0.058 0.3165
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0119 0.0119
Mycobacterium ulcerans L-lysine aminotransferase 0.0199 0.1365 0.1365
Loa Loa (eye worm) beta-lactamase 0.0041 0.0231 0.0249
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0072 0.0072
Mycobacterium ulcerans hypothetical protein 0.1398 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1257 0.1257
Brugia malayi MBOAT family protein 0.0026 0.0119 0.0128
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0013 0.0011
Mycobacterium ulcerans acetylornithine aminotransferase 0.0199 0.1365 0.1365
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0013 0.001
Plasmodium falciparum ornithine aminotransferase 0.0199 0.1365 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0041 0.0232 0.1263
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0231 0.025
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0041 0.0232 0.1263
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0013 0.0069
Brugia malayi beta-lactamase 0.0041 0.0231 0.025
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0041 0.0232 0.025
Brugia malayi 'Paired box' domain containing protein 0.0024 0.011 0.0118
Schistosoma mansoni hypothetical protein 0.009 0.058 0.3165
Echinococcus granulosus calpain A 0.0021 0.0083 0.0455
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0041 0.0232 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0065 0.0065
Brugia malayi 'Paired box' domain containing protein 0.0024 0.011 0.0118
Trypanosoma cruzi GUP1, putative 0.0026 0.0119 0.2425
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0041 0.0232 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0231 0.0249
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0119 0.0119
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0231 0.9935
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0013 0.0069
Echinococcus granulosus RUN 0.0021 0.0088 0.0478
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0158 0.017
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0231 0.0231
Schistosoma mansoni calpain C (C02 family) 0.0021 0.0083 0.0455
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0013 0.001
Schistosoma mansoni apoptosis regulator bax 0.009 0.058 0.3165
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0199 0.1365 0.1365
Leishmania major glycerol uptake protein, putative 0.0026 0.0119 0.2425
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0026 0.0119 0.0651
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0199 0.1365 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0026 0.0119 0.0651

Activities

Activity type Activity value Assay description Source Reference
DeltaTC (functional) 0 % In vivo percent change in plasma cholesterol level was measured at a dose of 30 mg/Kg in rat and expressed as deltaTC; ND means not determined ChEMBL. 9871672
IC50 (binding) = 0.13 uM In vitro inhibition of ACAT by incubation with [1-14C]-oleolyl-CoA and intestinal microsomes isolated from cholesterol-fed rabbits. ChEMBL. 9871672
IC50 (binding) = 0.13 uM In vitro inhibition of ACAT by incubation with [1-14C]-oleolyl-CoA and intestinal microsomes isolated from cholesterol-fed rabbits. ChEMBL. 9871672

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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