Detailed information for compound 1866794

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 505.687 | Formula: C29H47NO6
  • H donors: 4 H acceptors: 6 LogP: 4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@@H]1CC[C@]2(C(C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2C(CCC(=O)N1C[C@H](C[C@@H]1C(=O)O)O)C)C)O)C
  • InChi: 1S/C29H47NO6/c1-16(4-7-25(34)30-15-19(32)14-23(30)27(35)36)20-5-6-21-26-22(9-11-29(20,21)3)28(2)10-8-18(31)12-17(28)13-24(26)33/h16-24,26,31-33H,4-15H2,1-3H3,(H,35,36)/t16?,17?,18-,19+,20?,21+,22+,23-,24+,26+,28+,29-/m1/s1
  • InChiKey: AMLDXIVVIASJFY-KETOTGFSSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0012 0.0044
Mycobacterium tuberculosis S-nitrosomycothiol reductase MscR 0.0018 0.0021 0.0079
Schistosoma mansoni hypothetical protein 0.0032 0.0198 0.0204
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0012 0.0044
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0266 0.1686
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0254 0.0262
Trichomonas vaginalis spcc417.12 protein, putative 0.0135 0.1472 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.056 0.0578
Mycobacterium tuberculosis Possible dehydrogenase 0.0018 0.0021 0.0079
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0198 0.0204
Brugia malayi Carboxylesterase family protein 0.0135 0.1472 0.1519
Schistosoma mansoni acetylcholinesterase 0.0135 0.1472 0.1519
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0198 0.0204
Brugia malayi TAR-binding protein 0.0064 0.0598 0.0617
Loa Loa (eye worm) RNA binding protein 0.0064 0.0598 0.0617
Loa Loa (eye worm) hypothetical protein 0.0018 0.0024 0.0025
Loa Loa (eye worm) hypothetical protein 0.0135 0.1472 0.1519
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0018 0.0021 0.0378
Loa Loa (eye worm) hypothetical protein 0.01 0.1041 0.1075
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0948 0.0979
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0198 0.0204
Loa Loa (eye worm) hypothetical protein 0.0018 0.0021 0.0022
Echinococcus multilocularis protein patched 0.0043 0.0333 0.0333
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0333 0.0343
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0099 0.0769
Brugia malayi beta-lactamase family protein 0.0037 0.0254 0.0262
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0135 0.1472 0.5464
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0012 0.0044
Schistosoma mansoni hypothetical protein 0.0032 0.0198 0.0204
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0254 0.0254
Brugia malayi RNA binding protein 0.0064 0.0598 0.0617
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0266 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0135 0.1472 0.1472
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0024 0.0089
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0266 0.4745
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.056 0.0578
Echinococcus multilocularis acetylcholinesterase 0.0799 0.9691 0.9691
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.2694 1
Loa Loa (eye worm) carboxylesterase 0.0135 0.1472 0.1519
Loa Loa (eye worm) hypothetical protein 0.0799 0.9691 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0266 0.1657
Loa Loa (eye worm) hypothetical protein 0.0037 0.0254 0.0262
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0254 0.1605
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0024 0.0019
Brugia malayi beta-lactamase 0.0037 0.0254 0.0262
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0658 0.068
Loa Loa (eye worm) hypothetical protein 0.0135 0.1472 0.1519
Schistosoma mansoni inositol monophosphatase 0.0038 0.0266 0.0274
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0099 0.1776
Loa Loa (eye worm) hypothetical protein 0.0018 0.0021 0.0022
Onchocerca volvulus 0.0135 0.1472 0.9164
Echinococcus granulosus para nitrobenzyl esterase 0.0135 0.1472 0.1519
Mycobacterium tuberculosis Possible quinone oxidoreductase (NADPH:quinone oxidoreductase) (zeta-crystallin) 0.0018 0.0021 0.0079
Brugia malayi follicle stimulating hormone receptor 0.0236 0.2725 0.2812
Mycobacterium tuberculosis Probable alcohol dehydrogenase AdhA 0.0018 0.0021 0.0079
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0254 0.0943
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0266 0.0266
Trypanosoma brucei oxidoreductase, putative 0.0018 0.0021 0.0796
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0103
Schistosoma mansoni cellular tumor antigen P53 0.01 0.1041 0.1075
Onchocerca volvulus 0.0037 0.0254 0.1471
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0135 0.1472 0.1519
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0254 0.0262
Onchocerca volvulus Putative alcohol dehydrogenase 0.0146 0.1605 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0099 0.1776
Loa Loa (eye worm) hypothetical protein 0.0069 0.0658 0.068
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0254 0.1471
Mycobacterium ulcerans beta-lactamase 0.0037 0.0254 0.1471
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0146 0.1605 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0099 0.0495
Loa Loa (eye worm) hypothetical protein 0.0037 0.0254 0.0262
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0018 0.0021 0.0079
Mycobacterium tuberculosis Probable quinone reductase Qor (NADPH:quinone reductase) (zeta-crystallin homolog protein) 0.0018 0.0021 0.0079
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0598 0.0617
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0099 0.1776
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0018 0.0021 0.0079
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.104 1
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.056 0.3491
Loa Loa (eye worm) beta-lactamase 0.0037 0.0254 0.0262
Schistosoma mansoni hypothetical protein 0.0069 0.0658 0.068
Schistosoma mansoni patched 1 0.0043 0.0333 0.0343
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0217 0.0806
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0948 0.0979
Brugia malayi hypothetical protein 0.0135 0.1472 0.1519
Onchocerca volvulus 0.0135 0.1472 0.9164
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0254 0.0254
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.056 0.2079
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0128 0.1385 0.514
Loa Loa (eye worm) hypothetical protein 0.0018 0.0024 0.0025
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0018 0.0021 0.0079
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0018 0.0021 0.0079
Loa Loa (eye worm) acetylcholinesterase 1 0.0799 0.9691 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0135 0.1472 0.1519
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0948 0.0979
Loa Loa (eye worm) hypothetical protein 0.0135 0.1472 0.1519
Schistosoma mansoni gliotactin 0.0135 0.1472 0.1519
Onchocerca volvulus 0.0135 0.1472 0.9164
Echinococcus granulosus GPCR family 2 0.0032 0.0198 0.0204
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0099 0.0103
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0198 0.0198
Leishmania major oxidoreductase, putative 0.0018 0.0021 0.0378
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0254 0.0943
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0024 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0314 0.0324
Loa Loa (eye worm) hypothetical protein 0.0018 0.0024 0.0025
Toxoplasma gondii ABC1 family protein 0.0037 0.0254 0.1584
Echinococcus multilocularis expressed conserved protein 0.0094 0.0964 0.0964
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0799 0.9691 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0266 0.1686
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0266 1
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0254 0.1471
Leishmania major d-xylulose reductase, putative 0.0018 0.0021 0.0378
Mycobacterium tuberculosis Probable alcohol dehydrogenase Adh 0.0018 0.0021 0.0079
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0266 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0099 0.0495
Loa Loa (eye worm) hypothetical protein 0.0032 0.0198 0.0204
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0254 0.1605
Mycobacterium tuberculosis Possible dehydrogenase 0.0018 0.0021 0.0079
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0198 0.0198
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0146 0.1605 0.1656
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0135 0.1472 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0135 0.1472 0.9164
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0024 0.0948
Loa Loa (eye worm) hypothetical protein 0.0018 0.0021 0.0022
Schistosoma mansoni hypothetical protein 0.0172 0.1932 0.1994
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.056 0.3404
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0018 0.0021 0.0022
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0598 0.0617
Echinococcus multilocularis acetylcholinesterase 0.0799 0.9691 0.9691
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0254 0.1605
Loa Loa (eye worm) hypothetical protein 0.0043 0.0333 0.0343
Echinococcus multilocularis carboxylesterase 5A 0.0799 0.9691 0.9691
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0198 0.0204
Loa Loa (eye worm) hypothetical protein 0.0135 0.1472 0.1519
Onchocerca volvulus 0.0037 0.0254 0.1471
Onchocerca volvulus 0.01 0.1041 0.6444
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0099 0.0769
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0236 0.2725 0.2812
Trypanosoma brucei oxidoreductase, putative 0.0018 0.0021 0.0796
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.1059 0.1092
Brugia malayi Carboxylesterase family protein 0.0135 0.1472 0.1519
Mycobacterium tuberculosis Carboxylesterase LipT 0.0135 0.1472 0.5464
Schistosoma mansoni hypothetical protein 0.0037 0.0254 0.0262
Schistosoma mansoni hypothetical protein 0.0041 0.0314 0.0324
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0254 0.1605
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0099 0.0495
Brugia malayi beta-lactamase family protein 0.0037 0.0254 0.0262
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0018 0.0021 0.0796
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.056 0.3404
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0598 0.0598
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0146 0.1605 1
Brugia malayi CHE-14 protein 0.0043 0.0333 0.0343
Schistosoma mansoni zinc binding dehydrogenase 0.0018 0.0021 0.0022
Leishmania major hypothetical protein, conserved 0.0037 0.0254 0.4536
Schistosoma mansoni hypothetical protein 0.0172 0.1932 0.1994
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0099 0.0495
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0099 0.0495
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0598 0.0617
Entamoeba histolytica hypothetical protein 0.0037 0.0254 0.2284
Echinococcus granulosus acetylcholinesterase 0.0799 0.9691 1
Echinococcus multilocularis geminin 0.0172 0.1932 0.1932
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0012 0.0044
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0099 0.0103
Leishmania major zinc binding dehydrogenase-like protein 0.0018 0.0021 0.0378
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0598 0.0617
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0254 0.9559
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0333 0.0343
Trypanosoma cruzi oxidoreductase, putative 0.0018 0.0021 0.0796
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0333 0.0333
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0024 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0099 0.0495
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0598 0.0617
Schistosoma mansoni alcohol dehydrogenase 0.0146 0.1605 0.1656
Mycobacterium tuberculosis Conserved protein 0.0037 0.0254 0.0943
Leishmania major oxidoreductase-like protein 0.0018 0.0021 0.0378
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0198 0.0204
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0018 0.0021 0.0079
Onchocerca volvulus 0.0037 0.0254 0.1471
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0146 0.1605 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0099 0.0369
Mycobacterium tuberculosis Conserved protein 0.0037 0.0254 0.0943
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0333 0.0343
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0018 0.0021 0.0022
Echinococcus multilocularis neuroligin 0.0135 0.1472 0.1472
Loa Loa (eye worm) carboxylesterase 0.0135 0.1472 0.1519
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0598 0.0617
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0099 0.0369
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0254 0.0943
Leishmania major quinone oxidoreductase, putative 0.0018 0.0021 0.0378
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0021 0.0079
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.056 0.056
Mycobacterium tuberculosis Possible oxidoreductase FadB5 0.0018 0.0021 0.0079
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0135 0.1472 0.5464
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.1055 0.1089
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.1055 0.1089
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0018 0.0021 0.0022
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0146 0.1605 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0452 0.0467
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.056 0.3404
Echinococcus granulosus Niemann Pick C1 protein 0.0143 0.1571 0.1621
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.056 0.0578
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0146 0.1605 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0217 0.1238
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0598 0.0617
Mycobacterium ulcerans hypothetical protein 0.0024 0.0099 0.0495
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.1055 0.1089
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0018 0.0021 0.0079
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0948 0.0979
Onchocerca volvulus 0.0135 0.1472 0.9164
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0254 0.0262
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0254 0.0943
Loa Loa (eye worm) hypothetical protein 0.0037 0.0254 0.0262
Loa Loa (eye worm) hypothetical protein 0.0799 0.9691 1
Echinococcus multilocularis protein dispatched 1 0.0049 0.0408 0.0408
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0254 1
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0018 0.0021 0.0796
Loa Loa (eye worm) hypothetical protein 0.0037 0.0254 0.0262
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0254 0.0943
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0254 0.0943
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0018 0.0021 0.0796
Echinococcus multilocularis tumor protein p63 0.0684 0.8274 0.8274
Mycobacterium ulcerans hypothetical protein 0.0037 0.0254 0.1471
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0018 0.0021 0.0796
Echinococcus granulosus acetylcholinesterase 0.0799 0.9691 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.1472 0.1519
Echinococcus multilocularis GPCR, family 2 0.0032 0.0198 0.0198
Mycobacterium ulcerans lipase LipD 0.0037 0.0254 0.1471
Schistosoma mansoni hypothetical protein 0.0041 0.0314 0.0324
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0135 0.1472 0.1519
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0254 0.0262
Schistosoma mansoni hypothetical protein 0.0032 0.0198 0.0204
Schistosoma mansoni inositol monophosphatase 0.0038 0.0266 0.0274
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0146 0.1605 0.5956
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0266 0.0274
Loa Loa (eye worm) hypothetical protein 0.0135 0.1472 0.1519
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0254 0.1471
Brugia malayi Alcohol dehydrogenase class III 0.0146 0.1605 0.1656
Loa Loa (eye worm) carboxylesterase 0.0799 0.9691 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0254 0.0262
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0266 0.2403
Toxoplasma gondii type I fatty acid synthase, putative 0.0019 0.0033 0.0208
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0948 0.0979
Echinococcus granulosus expressed conserved protein 0.0094 0.0964 0.0995
Echinococcus granulosus tar DNA binding protein 0.0064 0.0598 0.0617
Loa Loa (eye worm) hypothetical protein 0.0018 0.0024 0.0025
Loa Loa (eye worm) hypothetical protein 0.0037 0.0254 0.0262
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0018 0.0021 0.0796
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0099 0.0495
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0135 0.1472 0.1472
Loa Loa (eye worm) hypothetical protein 0.0037 0.0254 0.0262
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0254 0.9559
Loa Loa (eye worm) inositol-1 0.0038 0.0266 0.0274
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 0.0128 0.1385 0.514
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0266 0.1686
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0948 0.0979
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.104 0.104
Entamoeba histolytica hypothetical protein 0.0037 0.0254 0.2284
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0103
Onchocerca volvulus 0.0024 0.0099 0.0495
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0135 0.1472 0.1519
Schistosoma mansoni hypothetical protein 0.0041 0.0314 0.0324
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0948 0.0979
Toxoplasma gondii quinone oxidoreductase, putative 0.0018 0.0021 0.0132
Echinococcus multilocularis Niemann Pick C1 protein 0.0143 0.1571 0.1571
Schistosoma mansoni hypothetical protein 0.0032 0.0198 0.0204
Brugia malayi hypothetical protein 0.0037 0.0254 0.0262
Brugia malayi Carboxylesterase family protein 0.0799 0.9691 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0099 0.0495
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.104 0.1073
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0018 0.0021 0.0796
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0099 0.0769
Loa Loa (eye worm) hypothetical protein 0.01 0.104 0.1073
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0948 0.0948
Mycobacterium tuberculosis Probable NADPH quinone oxidoreductase FadB4 (NADPH:quinone reductase) (zeta-crystallin) 0.0018 0.0021 0.0079
Schistosoma mansoni neuroligin 3 (S09 family) 0.0135 0.1472 0.1519
Onchocerca volvulus 0.0135 0.1472 0.9164
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0099 0.0495
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.056 1
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0146 0.1605 1
Trypanosoma cruzi oxidoreductase, putative 0.0018 0.0021 0.0796
Echinococcus granulosus neuroligin 0.0135 0.1472 0.1519
Echinococcus granulosus BC026374 protein S09 family 0.0135 0.1472 0.1519
Mycobacterium leprae Probable lipase LipE 0.0037 0.0254 0.1471
Mycobacterium ulcerans short-chain dehydrogenase 0.0022 0.007 0.0307
Brugia malayi Carboxylesterase family protein 0.0135 0.1472 0.1519
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0598 0.0617
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0254 0.1605
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0254 0.0943
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0146 0.1605 1
Mycobacterium tuberculosis Probable NADP-dependent alcohol dehydrogenase AdhC 0.0018 0.0021 0.0079
Echinococcus multilocularis BC026374 protein (S09 family) 0.0135 0.1472 0.1472
Trichomonas vaginalis esterase, putative 0.0037 0.0254 0.1605
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0254 0.0262
Loa Loa (eye worm) hypothetical protein 0.0135 0.1472 0.1519
Brugia malayi Carboxylesterase family protein 0.0799 0.9691 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1055 0.1089
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0103
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0266 1
Entamoeba histolytica hypothetical protein 0.0037 0.0254 0.2284
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0135 0.1472 0.1519
Brugia malayi Inositol-1 0.0038 0.0266 0.0274
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0254 0.9559
Loa Loa (eye worm) hypothetical protein 0.0018 0.0024 0.0025
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0018 0.0021 0.0021
Brugia malayi Carboxylesterase family protein 0.0135 0.1472 0.1519
Echinococcus granulosus geminin 0.0172 0.1932 0.1994
Echinococcus granulosus carboxylesterase 5A 0.0799 0.9691 1
Entamoeba histolytica hypothetical protein 0.0037 0.0254 0.2284
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0254 0.0262
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.104 0.1073
Mycobacterium tuberculosis Probable oxidoreductase 0.0018 0.0021 0.0079
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0266 0.1545
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0099 0.0103
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0948 0.0948
Echinococcus granulosus tumor protein p63 0.0684 0.8274 0.8538
Mycobacterium tuberculosis Conserved protein 0.0037 0.0254 0.0943
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0333 0.2147

Activities

Activity type Activity value Assay description Source Reference
T1/2 (ADMET) > 72 hr The compound was incubated with human stools and tested for determining the stability towards 7-dehydroxylation ChEMBL. 8667370

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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