Detailed information for compound 500067

Basic information

Technical information
  • TDR Targets ID: 500067
  • Name: (3R,5S)-6-[2-(4-fluorophenyl)-5-[(3-methoxyph enyl)methylcarbamoyl]-4-propan-2-ylpyrazol-3- yl]oxy-3,5-dihydroxyhexanoic acid
  • MW: 529.557 | Formula: C27H32FN3O7
  • H donors: 4 H acceptors: 6 LogP: 3.12 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cccc(c1)CNC(=O)c1nn(c(c1C(C)C)OC[C@H](C[C@H](CC(=O)O)O)O)c1ccc(cc1)F
  • InChi: 1S/C27H32FN3O7/c1-16(2)24-25(26(36)29-14-17-5-4-6-22(11-17)37-3)30-31(19-9-7-18(28)8-10-19)27(24)38-15-21(33)12-20(32)13-23(34)35/h4-11,16,20-21,32-33H,12-15H2,1-3H3,(H,29,36)(H,34,35)/t20-,21+/m1/s1
  • InChiKey: SBGJIKSFKHFLEJ-RTWAWAEBSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3R,5S)-6-[2-(4-fluorophenyl)-4-isopropyl-5-[(3-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]oxy-3,5-dihydroxy-hexanoic acid
  • (3R,5S)-6-[[2-(4-fluorophenyl)-4-isopropyl-5-[[(3-methoxyphenyl)methylamino]-oxomethyl]-3-pyrazolyl]oxy]-3,5-dihydroxyhexanoic acid
  • (3R,5S)-6-[2-(4-fluorophenyl)-5-[(3-methoxyphenyl)methylcarbamoyl]-4-propan-2-yl-pyrazol-3-yl]oxy-3,5-dihydroxy-hexanoic acid
  • (3R,5S)-6-[2-(4-fluorophenyl)-4-isopropyl-5-(m-anisylcarbamoyl)pyrazol-3-yl]oxy-3,5-dihydroxy-hexanoic acid
  • (3R,5S)-6-[2-(4-fluorophenyl)-4-isopropyl-5-[(3-methoxybenzyl)carbamoyl]pyrazol-3-yl]oxy-3,5-dihydroxy-hexanoic 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
Leishmania donovani 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
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 congolense 3-hydroxy-3-methylglutaryl-CoA reductase, putative 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
Echinococcus granulosus hydroxymethylglutaryl coenzyme A 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
Loa Loa (eye worm) hypothetical protein 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
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 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
Leishmania infantum 3-hydroxy-3-methylglutaryl-CoA reductase, putative 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
Candida albicans hydroxymethylglutaryl-CoA reductase (ergosterol biosynthesis) 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
Trypanosoma brucei gambiense 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
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 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
Schistosoma mansoni hypothetical protein 0.0042 0.0114 0.213
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0013 0.0072
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0072
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0013 0.0072
Echinococcus multilocularis flap endonuclease 1 0.0025 0.006 0.0216
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0035 0.0035
Onchocerca volvulus 0.046 0.1434 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0139 0.0947
Onchocerca volvulus 0.001 0.0013 0.0072
Trichomonas vaginalis set domain proteins, putative 0.023 0.0707 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0035 0.0035
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0018 0.0298
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0013 0.0072
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0013 0.0072
Echinococcus granulosus expressed conserved protein 0.0096 0.0284 0.3726
Brugia malayi hypothetical protein 0.0037 0.0098 0.0666
Echinococcus granulosus sterol regulatory element binding protein 0.0112 0.0334 0.4393
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0013 0.0072
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.0334 0.4704
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0078 0.0225 0.316
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0058 0.0058
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0058 0.183
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0058 0.0055
Entamoeba histolytica hypothetical protein 0.0037 0.0098 0.3171
Echinococcus multilocularis protein dispatched 1 0.0118 0.0354 0.1328
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0072 0.4205
Echinococcus granulosus Niemann Pick C1 protein 0.0214 0.0657 0.8683
Entamoeba histolytica hypothetical protein 0.0037 0.0098 0.3171
Entamoeba histolytica Flap nuclease, putative 0.0025 0.006 0.1898
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0013 0.0137
Schistosoma mansoni lozenge 0.0058 0.0163 0.3065
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0098 0.1264
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0013 0.0198
Schistosoma mansoni hypothetical protein 0.005 0.0139 0.2603
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0013 0.0072
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0072
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0013 0.0198
Echinococcus multilocularis Niemann Pick C1 protein 0.0214 0.0657 0.2479
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0102 0.0303 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0058 0.0384
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0166 0.0619
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0072
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0042 0.0114 0.213
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0013 0.0072
Plasmodium vivax SET domain protein, putative 0.0029 0.0072 1
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0098 0.183
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0013 0.0072
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0165 0.0503 0.05
Loa Loa (eye worm) hypothetical protein 0.0008 0.0007 0.0028
Schistosoma mansoni hypothetical protein 0.0042 0.0114 0.213
Echinococcus granulosus Protein patched homolog 1 0.0112 0.0334 0.4393
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0013 0.0072
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0058 0.0384
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0018 0.0104
Entamoeba histolytica hypothetical protein 0.0037 0.0098 0.3171
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.006 0.0398
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0058 0.183
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0013 0.0039
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0038 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0058 0.0055
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0013 0.0137
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0013 0.0039
Loa Loa (eye worm) hypothetical protein 0.046 0.1434 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0013 0.0039
Schistosoma mansoni patched 1 0.0112 0.0334 0.6359
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0013 0.0072
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0166 0.0166
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0013 0.0039
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0013 0.0072
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0078 0.0225 0.316
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0003 0.0003
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.006 0.1141
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0072
Plasmodium falciparum flap endonuclease 1 0.0025 0.006 1
Echinococcus granulosus Niemann Pick C1 protein 0.0102 0.0303 0.3986
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0058 0.0055
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0018 0.0104
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0018 0.0104
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0166 0.2168
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0842 0.2641 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0072
Loa Loa (eye worm) hypothetical protein 0.0245 0.0756 0.5264
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0172 0.0523 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.0018 0.0104
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0013 0.0072
Leishmania major cytochrome p450-like protein 0.0012 0.0018 0.0298
Echinococcus multilocularis sterol regulatory element binding protein 0.0112 0.0334 0.1254
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0013 0.0072
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0013 0.0072
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0038 0.0038
Trypanosoma brucei cytochrome P450, putative 0.0012 0.0018 0.0298
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0058 0.0055
Onchocerca volvulus 0.0029 0.0072 0.048
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0072 0.0912
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0013 0.0198
Loa Loa (eye worm) hypothetical protein 0.0029 0.0072 0.048
Onchocerca volvulus 0.005 0.0139 0.0947
Loa Loa (eye worm) runx1 0.0058 0.0163 0.1115
Schistosoma mansoni thyroid hormone receptor 0.001 0.0013 0.0198
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0165 0.0503 0.1894
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0165 0.0503 1
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0013 0.0072
Brugia malayi nuclear hormone receptor 0.001 0.0013 0.0072
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0018 0.0298
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0058 0.0055
Echinococcus multilocularis Niemann Pick C1 protein 0.0102 0.0303 0.1138
Schistosoma mansoni coup transcription factor 0.001 0.0013 0.0198
Loa Loa (eye worm) hypothetical protein 0.0018 0.0038 0.0247
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0072
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0072 0.026
Loa Loa (eye worm) hypothetical protein 0.0018 0.0038 0.0247
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0072 0.132
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0112 0.0334 0.2313
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0165 0.0503 0.3492
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0013 0.0137
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0003 0.0003
Mycobacterium tuberculosis Probable histidinol dehydrogenase HisD (HDH) 0.3169 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0013 0.0072
Brugia malayi Cytochrome P450 family protein 0.0012 0.0018 0.0104
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0003 0.0003
Brugia malayi CHE-14 protein 0.0112 0.0334 0.2313
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0013 0.0072
Brugia malayi Niemann-Pick C1 protein precursor 0.0102 0.0303 0.2099
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0058 0.0055
Loa Loa (eye worm) hypothetical protein 0.0165 0.0503 0.3492
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0165 0.0503 0.9601
Loa Loa (eye worm) hypothetical protein 0.0025 0.0058 0.0384
Entamoeba histolytica hypothetical protein 0.0037 0.0098 0.3171
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0098 0.0361
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0013 0.0072
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0078 0.0225 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0035 0.0035
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0013 0.0137
Brugia malayi Pre-SET motif family protein 0.0202 0.0618 0.43
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0165 0.0503 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0072 0.132
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0013 0.0198
Loa Loa (eye worm) hypothetical protein 0.0112 0.0334 0.2313
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0013 0.0198
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0166 0.0163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0013 0.0072
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0013 0.0137
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0068 0.0867
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0003 0.0003
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0003 0.0003
Brugia malayi nuclear receptor NHR-88 0.001 0.0013 0.0072
Brugia malayi Flap endonuclease-1 0.0025 0.006 0.0398
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0013 0.0137
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0166 0.3139
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0013 0.0137
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0035 0.0035
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0166 0.3269
Onchocerca volvulus 0.0025 0.0058 0.0384
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0038 0.0035
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.006 0.8299
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0038 0.5139
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0013 0.0072
Loa Loa (eye worm) hypothetical protein 0.0018 0.0038 0.0247
Loa Loa (eye worm) hypothetical protein 0.0054 0.015 0.1027
Loa Loa (eye worm) hypothetical protein 0.0025 0.0058 0.0384
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0058 0.0055
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0003 0.0003
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0013 0.0039
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0058 0.0384
Echinococcus granulosus FTZ F1 alpha 0.001 0.0013 0.0137
Loa Loa (eye worm) hypothetical protein 0.0018 0.0038 0.0247
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0166 0.0163
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0013 0.0198
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0058 0.0058
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0058 0.183
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0072 0.132
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0013 0.0072
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0166 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0058 0.11
Loa Loa (eye worm) hypothetical protein 0.046 0.1434 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0013 0.0198
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.006 0.1141
Brugia malayi hypothetical protein 0.046 0.1434 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0303 0.2099
Schistosoma mansoni thyroid hormone receptor 0.001 0.0013 0.0198
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0072
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0038 0.6192
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0166 0.0163
Mycobacterium ulcerans histidinol dehydrogenase 0.3169 1 1
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0165 0.0503 1
Brugia malayi steroid hormone receptor 0.001 0.0013 0.0072
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0072 0.026
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0013 0.0039
Loa Loa (eye worm) hypothetical protein 0.0018 0.0038 0.0247
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0013 0.0072
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.006 0.081
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0037 0.0098 0.183
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.006 0.1141
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0058 0.11
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0072 0.132
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0013 0.0039
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0013 0.0039
Brugia malayi Pre-SET motif family protein 0.0029 0.0072 0.048
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0013 0.0072
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0058 0.0055
Mycobacterium ulcerans hypothetical protein 0.0025 0.0058 0.0055
Brugia malayi hypothetical protein 0.0245 0.0756 0.5264
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0078 0.0225 0.316
Schistosoma mansoni flap endonuclease-1 0.0023 0.0052 0.0948
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0013 0.0137
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0165 0.0503 0.6633
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.0618 0.43
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0013 0.0072
Schistosoma mansoni hypothetical protein 0.0042 0.0114 0.213
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0013 0.0072
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.006 0.349
Brugia malayi ecdysteroid receptor 0.001 0.0013 0.0072
Onchocerca volvulus 0.023 0.0707 0.4916
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0013 0.0198
Loa Loa (eye worm) hypothetical protein 0.0025 0.0058 0.0384
Echinococcus multilocularis protein patched 0.0112 0.0334 0.1254
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0013 0.0072
Echinococcus multilocularis Protein lozenge 0.0058 0.0163 0.0605
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0003 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0013 0.0072
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0058 0.11
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0003 0.0003
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0165 0.0503 1
Echinococcus granulosus survival motor neuron protein 1 0.0245 0.0756 1
Echinococcus granulosus flap endonuclease 1 0.0025 0.006 0.0757
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0013 0.0039
Echinococcus multilocularis survival motor neuron protein 1 0.0245 0.0756 0.2855
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0072
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0013 0.0198
Schistosoma mansoni nuclear hormone receptor 0.001 0.0013 0.0198
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0058 0.0055
Echinococcus multilocularis expressed conserved protein 0.0096 0.0284 0.1064
Schistosoma mansoni survival motor neuron protein 0.005 0.0139 0.2603
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0166 0.3139
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0018 0.0015

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 37 % Inhibition of cholesterol synthesis in hamster at 10 mg/kg, po after 4 to 6 hrs relative to control ChEMBL. 17764936
IC50 (functional) = 8.4 nM Inhibition of cholesterol synthesis in rat hepatocytes ChEMBL. 17764936
IC50 (binding) = 16 nM Inhibition of HMG-CoA reductase in rat liver microsomes ChEMBL. 17764936
IC50 (binding) = 16 nM Inhibition of HMG-CoA reductase in rat liver microsomes ChEMBL. 17764936
IC50 (functional) = 8750 nM Inhibition of cholesterol synthesis in L6 myocytes ChEMBL. 17764936

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.