Detailed information for compound 165035

Basic information

Technical information
  • TDR Targets ID: 165035
  • Name: (3S)-4-[2-[2-(4-fluoro-3-methylphenyl)-4,6-di methylphenyl]ethyl-hydroxyphosphoryl]-3-hydro xybutanoic acid
  • MW: 408.4 | Formula: C21H26FO5P
  • H donors: 3 H acceptors: 5 LogP: 2.55 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C[C@@H](CP(=O)(CCc1c(C)cc(cc1c1ccc(c(c1)C)F)C)O)O
  • InChi: 1S/C21H26FO5P/c1-13-8-14(2)18(6-7-28(26,27)12-17(23)11-21(24)25)19(9-13)16-4-5-20(22)15(3)10-16/h4-5,8-10,17,23H,6-7,11-12H2,1-3H3,(H,24,25)(H,26,27)/t17-/m0/s1
  • InChiKey: AAQMQVNMIKIIFW-KRWDZBQOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3S)-4-[2-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]ethyl-hydroxy-phosphoryl]-3-hydroxy-butanoic acid
  • (3S)-4-[2-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]ethyl-hydroxy-phosphoryl]-3-hydroxy-butyric acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus HMG-CoA reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase Get druggable targets OG5_127955 All targets in OG5_127955
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) Get druggable targets OG5_127955 All targets in OG5_127955
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase Get druggable targets OG5_127955 All targets in OG5_127955
Leishmania braziliensis 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Candida albicans hydroxymethylglutaryl-CoA reductase (ergosterol biosynthesis) Get druggable targets OG5_127955 All targets in OG5_127955
Schistosoma japonicum ko:K00021 3-hydroxy-3-methylglutaryl-CoA reductase [EC1.1.1.34], putative Get druggable targets OG5_127955 All targets in OG5_127955
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase Get druggable targets OG5_127955 All targets in OG5_127955
Leishmania infantum 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Leishmania mexicana 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127955 All targets in OG5_127955
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase Get druggable targets OG5_127955 All targets in OG5_127955
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein Get druggable targets OG5_127955 All targets in OG5_127955
Candida albicans hydroxymethylglutaryl-CoA reductase (ergosterol biosynthesis) Get druggable targets OG5_127955 All targets in OG5_127955
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase Get druggable targets OG5_127955 All targets in OG5_127955
Trypanosoma brucei gambiense 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Leishmania donovani 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
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 0.0011 0.0067 0.0067
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0355 0.1152
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0067 0.0067
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.1143 0.1143
Loa Loa (eye worm) calpain family protein 1 0.007 0.1218 0.1218
Trichomonas vaginalis glucosylceramidase, putative 0.028 0.5325 1
Schistosoma mansoni hypothetical protein 0.009 0.1607 0.1607
Trichomonas vaginalis glucosylceramidase, putative 0.028 0.5325 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0067 0.0067
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0228 0.5
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0519 1 1
Brugia malayi CXXC zinc finger family protein 0.0031 0.0461 0.0461
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0355 0.1152
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0165 0.3082 0.3082
Echinococcus granulosus calpain A 0.0073 0.1287 0.1287
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0067 0.0067
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0193 0.3626 0.3626
Trypanosoma cruzi kinesin, putative 0.0021 0.0259 0.0259
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0355 0.537
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0067 0.0067
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0068 0.1182 0.1182
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0193 0.3626 0.3626
Echinococcus granulosus calpain 0.0021 0.0259 0.0259
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0067 0.0194
Schistosoma mansoni ferritin 0.0009 0.0032 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0067 0.0067
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0207 0.5844
Brugia malayi nuclear receptor NHR-88 0.0011 0.0067 0.0067
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0165 0.3082 0.3082
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0259 0.0259
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0259 0.0259
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0078 0.1367 0.2568
Echinococcus multilocularis calpain 0.0021 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0021 0.027 0.027
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0259 0.0259
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0207 0.5844
Echinococcus multilocularis expressed protein 0.0009 0.0032 0.0032
Brugia malayi nuclear hormone receptor 0.0011 0.0067 0.0067
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0073 0.1287 0.1287
Loa Loa (eye worm) hypothetical protein 0.007 0.1218 0.1218
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0041 0.0661 1
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0193 0.3626 0.3626
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0067 0.0067
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0041 0.0041
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3443 0.6466
Schistosoma mansoni hypothetical protein 0.0021 0.027 0.027
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.028 0.5325 0.5325
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0259 0.0259
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0038 0.0038
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0041 0.0661 0.0661
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0073 0.1287 0.1287
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0259 0.0259
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0355 0.1152
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0067 0.0067
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0032 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.3636 0.6829
Leishmania major kinesin, putative 0.0021 0.0259 0.0259
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0067 0.0067
Mycobacterium ulcerans hypothetical protein 0.0026 0.0355 0.1152
Echinococcus multilocularis calpain family protein 1, d 0.0049 0.0811 0.0811
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.0032 0.0906
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0067 0.0067
Plasmodium vivax calpain, putative 0.0021 0.0259 0.3914
Trypanosoma brucei calpain-like protein, putative 0.0021 0.0259 0.0259
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0004 0.0004
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0041 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.0019 0.0228 0.0228
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0461 0.0461
Onchocerca volvulus 0.0049 0.0811 0.2356
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0041 0.0661 0.0661
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0067 0.0067
Entamoeba histolytica protein kinase, putative 0.0021 0.0259 0.3914
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0041 0.0661 0.0661
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0228 0.0739
Trypanosoma cruzi kinesin, putative 0.0021 0.0259 0.0259
Schistosoma mansoni rab6-interacting 0.0021 0.027 0.027
Trichomonas vaginalis glucosylceramidase, putative 0.028 0.5325 1
Echinococcus multilocularis cpg binding protein 0.0033 0.0496 0.0496
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0021 0.0259 0.0259
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0067 0.0067
Toxoplasma gondii fructose-bisphospatase I 0.0193 0.3626 0.3626
Trichomonas vaginalis glucosylceramidase, putative 0.028 0.5325 1
Schistosoma mansoni ferritin 0.0009 0.0032 0.0032
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0068 0.1182 0.1182
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3443 0.6466
Schistosoma mansoni apoptosis regulator bax 0.009 0.1607 0.1607
Echinococcus granulosus Niemann Pick C1 protein 0.0068 0.1182 0.1182
Echinococcus multilocularis calpain 7 (C02 family) 0.0021 0.0259 0.0259
Onchocerca volvulus 0.0021 0.027 0.0785
Schistosoma mansoni rab6-interacting 0.0021 0.027 0.027
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3443 0.6466
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0519 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0067 0.0067
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0228 0.3448
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0067 0.0067
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0067 0.0067
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0165 0.3082 0.3082
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0004 0.0004
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0067 0.0067
Schistosoma mansoni ferritin 0.0009 0.0032 0.0032
Trichomonas vaginalis ferritin, putative 0.0009 0.0032 0.006
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0355 1
Echinococcus multilocularis calpain A 0.0073 0.1287 0.1287
Toxoplasma gondii fructose-bisphospatase II 0.0519 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0067 0.0067
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0067 0.0194
Echinococcus multilocularis RUN 0.0021 0.027 0.027
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0041 0.0661 0.0661
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0021 0.0259 0.0259
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0355 0.537
Schistosoma mansoni apoferritin-2 0.0009 0.0032 0.0032
Trichomonas vaginalis glucosylceramidase, putative 0.028 0.5325 1
Echinococcus granulosus cpg binding protein 0.0033 0.0496 0.0496
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.1005 0.1005
Brugia malayi hypothetical protein 0.0021 0.027 0.027
Echinococcus granulosus calpain 7 C02 family 0.0021 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0011 0.0067 0.0067
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0041 0.0661 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0067 0.0067
Echinococcus multilocularis ferritin 0.0009 0.0032 0.0032
Echinococcus multilocularis protein dispatched 1 0.0068 0.1182 0.1182
Brugia malayi calpain family protein 1 0.007 0.1218 0.1218
Loa Loa (eye worm) calpain family protein 1 0.0049 0.0811 0.0811
Loa Loa (eye worm) hypothetical protein 0.0068 0.1182 0.1182
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0519 1 1
Onchocerca volvulus 0.0031 0.0461 0.1339
Onchocerca volvulus Glucosylceramidase homolog 0.0184 0.3443 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0067 0.0067
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0067 0.0067
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0067 0.0067
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.1182 0.222
Loa Loa (eye worm) hypothetical protein 0.0011 0.0067 0.0067
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0259 0.0259
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3443 0.6466
Schistosoma mansoni hypothetical protein 0.009 0.1607 0.1607
Schistosoma mansoni loxhd1 0.0021 0.027 0.027
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0355 0.0355
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.027 0.027
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0011 0.0067 0.0067
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0519 1 1
Loa Loa (eye worm) apoptosis regulator protein 0.009 0.1607 0.1607
Trypanosoma brucei calpain-like protein, putative 0.0021 0.0259 0.0259
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.027 0.409
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0078 0.1367 0.2568
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.007 0.1218 0.1218
Echinococcus granulosus calpain A 0.0021 0.0259 0.0259
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.009 0.1607 0.1607
Schistosoma mansoni cpg binding protein 0.0031 0.0461 0.0461
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0259 0.0259
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0041 0.0661 0.1241
Trypanosoma brucei calpain-like protein, putative 0.0021 0.0259 0.0259
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0193 0.3626 0.3626
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3443 0.6466
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0519 1 1
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.0032 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0067 0.0067
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0067 0.0067
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3443 0.6466
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0041 0.0661 0.0661
Brugia malayi steroid hormone receptor 0.0011 0.0067 0.0067
Schistosoma mansoni Mername-AA248 (C02 family) 0.0021 0.0259 0.0259
Onchocerca volvulus 0.0011 0.0067 0.0194
Echinococcus multilocularis sterol regulatory element binding protein 0.0068 0.1182 0.1182
Loa Loa (eye worm) doublecortin family protein 0.0021 0.027 0.027
Schistosoma mansoni hypothetical protein 0.009 0.1607 0.1607
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0078 0.1367 0.5
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.027 0.409
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0041 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.0019 0.0228 0.0228
Brugia malayi hypothetical protein 0.0021 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0021 0.027 0.027
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0355 0.0355
Schistosoma mansoni ferritin light chain 0.0009 0.0032 0.0032
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0067 0.0067
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0067 0.0067
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0067 0.0067
Schistosoma mansoni calpain C (C02 family) 0.0021 0.0259 0.0259
Onchocerca volvulus 0.0021 0.027 0.0785
Schistosoma mansoni patched 1 0.0068 0.1182 0.1182
Brugia malayi Doublecortin family protein 0.0021 0.027 0.027
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0067 0.0067
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0067 0.0067
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0165 0.3082 0.3082
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0259 0.0259
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0355 1
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0067 0.0067
Schistosoma mansoni calpain-7 (C02 family) 0.0021 0.0259 0.0259
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0128 0.2352 0.2352
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.027 0.027
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0355 0.537
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0032 0.0906
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.3636 0.6829
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0073 0.1287 0.1287
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0355 0.1152
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0355 0.1152
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0259 0.0259
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3443 0.6466
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0067 0.0067
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0228 0.6421
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0078 0.1367 0.2568
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0067 0.0067
Entamoeba histolytica calpain large subunit domain III containing protein 0.0021 0.0259 0.3914
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.009 0.1607 0.1607
Schistosoma mansoni cpg binding protein 0.0033 0.0496 0.0496
Loa Loa (eye worm) hypothetical protein 0.0049 0.0811 0.0811
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0026 0.0355 0.0355
Loa Loa (eye worm) hypothetical protein 0.0049 0.0811 0.0811
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0041 0.0661 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0355 0.0355
Echinococcus granulosus RUN 0.0021 0.027 0.027
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0259 0.0259
Echinococcus granulosus sterol regulatory element binding protein 0.0068 0.1182 0.1182
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0067 0.0067
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0004 0.0004
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0165 0.3082 0.3082
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0067 0.0067
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0067 0.0067
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.028 0.5325 0.5325
Schistosoma mansoni apoferritin-2 0.0009 0.0032 0.0032
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0165 0.3082 1
Echinococcus multilocularis protein patched 0.0068 0.1182 0.1182
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0019 0.0228 0.0228
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.009 0.1607 0.1607
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.009 0.1607 0.1607
Loa Loa (eye worm) histone methyltransferase 0.001 0.0041 0.0041
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0032 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0067 0.0067
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0067 0.0067
Onchocerca volvulus 0.0026 0.0355 0.1031
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0067 0.0067
Schistosoma mansoni lipoxygenase 0.0089 0.16 0.16
Loa Loa (eye worm) hypothetical protein 0.0011 0.0067 0.0067
Brugia malayi CHE-14 protein 0.0068 0.1182 0.1182
Trypanosoma brucei antigen, putative 0.0021 0.0259 0.0259
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0165 0.3082 0.3082
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0355 0.1152
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.009 0.1607 0.1607
Brugia malayi calpain 5 0.0021 0.0259 0.0259
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0041 0.0661 0.0661
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0355 1
Trypanosoma brucei kinesin, putative 0.0021 0.0259 0.0259
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0067 0.0067
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0067 0.0067
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0067 0.0067
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0355 0.0355
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0355 0.0355
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0041 0.0661 0.0661
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0067 0.0067
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0041 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0067 0.0067
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.027 0.027
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0019 0.0228 0.0228
Schistosoma mansoni calpain (C02 family) 0.0021 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0026 0.0355 0.0355
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.0032 0.0104
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0067 0.0067
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0067 0.0067
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0165 0.3082 0.3082
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0067 0.0067
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0041 0.0661 0.0661
Schistosoma mansoni lipoxygenase 0.0128 0.2352 0.2352
Schistosoma mansoni coup transcription factor 0.0011 0.0067 0.0067
Loa Loa (eye worm) calpain 5 0.0021 0.0259 0.0259
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0041 0.0661 0.0661
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.009 0.1607 0.1607
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.027 0.027
Leishmania major 0.0519 1 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0519 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0067 0.0067
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0207 0.5844
Echinococcus granulosus calpain 5 0.0021 0.0259 0.0259
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0073 0.1287 0.1287
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0041 0.0661 0.1241
Schistosoma mansoni polycystin 1-related 0.0021 0.027 0.027
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0259 0.0259
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.027 0.027
Echinococcus granulosus ferritin 0.0009 0.0032 0.0032
Echinococcus multilocularis hypothetical protein 0.0021 0.0259 0.0259
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0165 0.3082 0.3082
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0128 0.2352 0.2352
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0259 0.0259
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0355 0.1152
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0207 0.5844
Brugia malayi calpain family protein 1 0.007 0.1218 0.1218
Schistosoma mansoni ferritin 0.0009 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0011 0.0067 0.0067
Echinococcus multilocularis Niemann Pick C1 protein 0.0068 0.1182 0.1182
Loa Loa (eye worm) calpain 0.0021 0.0259 0.0259
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0041 0.0661 0.0661
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0067 0.0067
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0228 0.3448
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.009 0.1607 0.1607
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0067 0.0067
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0067 0.0067
Schistosoma mansoni calpain-7 (C02 family) 0.0021 0.0259 0.0259
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0165 0.3082 0.3082
Brugia malayi ecdysteroid receptor 0.0011 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.007 0.1218 0.1218
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0032 0.0906
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0519 1 1
Echinococcus granulosus Protein patched homolog 1 0.0068 0.1182 0.1182
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0067 0.0067
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0067 0.0067
Schistosoma mansoni ferritin light chain 0.0009 0.0032 0.0032
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0067 0.0194
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0067 0.0067
Echinococcus multilocularis calpain 5 0.0021 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0019 0.0228 0.0228
Loa Loa (eye worm) hypothetical protein 0.0026 0.0355 0.0355
Trypanosoma brucei calpain-like protein, putative 0.0021 0.0259 0.0259
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0355 0.0355
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0355 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.027 0.027
Echinococcus granulosus expressed protein 0.0009 0.0032 0.0032
Schistosoma mansoni cpg binding protein 0.0033 0.0496 0.0496
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0067 0.0067
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0067 0.0067
Trichomonas vaginalis glucosylceramidase, putative 0.028 0.5325 1
Brugia malayi calpain 7 0.0021 0.0259 0.0259

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.05 mg kg-1 Inhibitory activity for de novo cholesterol synthesis from [14C]-acetate was determined in rat after intravenous administration (in vivo) ChEMBL. 2231594
ED50 (functional) = 6.7 mg kg-1 Inhibitory activity for de novo cholesterol synthesis from [14C]-acetate was determined in rat after oral administration (in vivo) ChEMBL. 2231594
I50 (binding) = 0.015 uM Inhibition of rat microsomal HMG-CoA reductase activity by 50% ChEMBL. 2231594
I50 (functional) = 0.085 uM Compound was tested for 50% inhibition of cholesterol synthesis in isolated rat hepatocytes. ChEMBL. 2231594
I50 (functional) = 64 uM Compound was tested for 50% inhibition of cholesterol synthesis in human skin fibroblasts. ChEMBL. 2231594
IC50 (binding) = 0.015 uM Inhibition of rat microsomal HMG-CoA reductase activity by 50% ChEMBL. 2231594
IC50 (functional) = 64 uM Compound was tested for 50% inhibition of cholesterol synthesis in human skin fibroblasts. ChEMBL. 2231594

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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