Detailed information for compound 368775

Basic information

Technical information
  • TDR Targets ID: 368775
  • Name: 1-(4-hydroxyphenyl)nonan-1-one
  • MW: 234.334 | Formula: C15H22O2
  • H donors: 1 H acceptors: 2 LogP: 4.79 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCC(=O)c1ccc(cc1)O
  • InChi: 1S/C15H22O2/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h9-12,16H,2-8H2,1H3
  • InChiKey: JZBXYOOARNRUME-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-hydroxyphenyl)-1-nonanone
  • 14392-69-9
  • ST5410254
  • 1-Nonanone, 1-(4-hydroxyphenyl)-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxysteroid (17-beta) dehydrogenase 3 310 aa 256 aa 32.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus sex peptide receptor 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus multilocularis g protein coupled receptor 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.0042 0.02 0.1878
Loa Loa (eye worm) histone deacetylase 7A 0.0042 0.02 0.1878
Brugia malayi RE15519p 0.007 0.0435 0.4087
Echinococcus multilocularis g-protein coupled receptor 0.007 0.0435 0.0435
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0006 0.0056
Echinococcus granulosus alpha 1A adrenergic receptor 0.007 0.0435 0.0435
Echinococcus granulosus tm gpcr rhodopsin 0.007 0.0435 0.0435
Echinococcus multilocularis allatostatin A receptor 0.007 0.0435 0.0435
Echinococcus multilocularis fmrfamide receptor 0.007 0.0435 0.0435
Echinococcus granulosus serotonin receptor 0.007 0.0435 0.0435
Loa Loa (eye worm) beta-lactamase 0.0035 0.0149 0.1401
Echinococcus granulosus neuropeptide Y receptor 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus multilocularis neuropeptides capa receptor 0.007 0.0435 0.0435
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.007 0.0435 0.0435
Schistosoma mansoni hypothetical protein 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Trypanosoma cruzi histone deacetylase, putative 0.0042 0.02 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0149 0.7384
Echinococcus multilocularis neuropeptide Y receptor 0.007 0.0435 0.0435
Brugia malayi neuropeptide F receptor 0.007 0.0435 0.4087
Echinococcus granulosus neuropeptide s receptor 0.007 0.0435 0.0435
Echinococcus multilocularis orexin receptor type 2 0.007 0.0435 0.0435
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0149 0.0856
Loa Loa (eye worm) neuropeptide F receptor 0.007 0.0435 0.4087
Schistosoma mansoni transcription factor LCR-F1 0.007 0.044 0.044
Schistosoma mansoni neuropeptide F-like receptor 0.007 0.0435 0.0435
Brugia malayi hypothetical protein 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Brugia malayi hypothetical protein 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Loa Loa (eye worm) neuropeptide F receptor 0.007 0.0435 0.4087
Schistosoma mansoni amine GPCR 0.007 0.0435 0.0435
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0149 0.7384
Echinococcus granulosus dro:myosuppressin receptor 0.007 0.0435 0.0435
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0149 0.0856
Echinococcus multilocularis biogenic amine (5HT) receptor 0.007 0.0435 0.0435
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0435 0.0435
Onchocerca volvulus 0.007 0.0435 1
Brugia malayi Muscleblind-like protein 0.0145 0.1063 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.007 0.0435 0.0435
Echinococcus multilocularis g protein coupled receptor 0.007 0.0435 0.0435
Echinococcus multilocularis neuropeptide receptor A26 0.007 0.0435 0.0435
Schistosoma mansoni biogenic amine (dopamine) receptor 0.007 0.0435 0.0435
Echinococcus multilocularis g protein coupled receptor 0.007 0.0435 0.0435
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0224 0.0224
Loa Loa (eye worm) follicle stimulating hormone receptor 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0435 0.0435
Onchocerca volvulus 0.007 0.0435 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0149 0.0149
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.007 0.0435 0.0435
Schistosoma mansoni opsin-like receptor 0.007 0.0435 0.0435
Echinococcus multilocularis histone deacetylase 7 0.0042 0.02 0.02
Mycobacterium ulcerans lipase LipD 0.0035 0.0149 1
Echinococcus multilocularis neuropeptide Y receptor 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Schistosoma mansoni opsin-like receptor 0.007 0.0435 0.0435
Schistosoma mansoni amine GPCR 0.007 0.0435 0.0435
Brugia malayi Histone deacetylase family protein 0.0042 0.02 0.1878
Onchocerca volvulus 0.007 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1063 1
Schistosoma mansoni ap endonuclease 0.0018 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0104 0.072 0.6769
Echinococcus multilocularis muscleblind protein 1 0.0145 0.1063 0.1063
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0224 0.0224
Onchocerca volvulus 0.007 0.0435 1
Trypanosoma brucei histone deacetylase 3 0.0042 0.02 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.007 0.0435 0.0435
Echinococcus granulosus hypothetical protein 0.007 0.0435 0.0435
Schistosoma mansoni histone deacetylase hda2 0.0042 0.02 0.02
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0435 0.0435
Echinococcus multilocularis histone deacetylase 6 0.0042 0.02 0.02
Schistosoma mansoni biogenic amine (5HT) receptor 0.007 0.0435 0.0435
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.0145 0.1063 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0149 0.0856
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0224 0.2107
Mycobacterium leprae Probable lipase LipE 0.0035 0.0149 0.5
Echinococcus multilocularis serotonin receptor 0.007 0.0435 0.0435
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0435 0.0435
Schistosoma mansoni biogenic amine receptor 0.007 0.0435 0.0435
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.007 0.0435 0.0435
Schistosoma mansoni neuropeptide receptor 0.007 0.0435 0.0435
Schistosoma mansoni amine GPCR 0.007 0.0435 0.0435
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0224 0.2107
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.044 0.044
Schistosoma mansoni neuropeptide F-like receptor 0.007 0.0435 0.0435
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.007 0.0435 0.0435
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.007 0.0435 0.0435
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0149 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0149 0.7384
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0149 1
Entamoeba histolytica hypothetical protein 0.007 0.044 0.0435
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.007 0.0435 0.0435
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0149 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.007 0.0435 0.0435
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0149 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus multilocularis alpha 1A adrenergic receptor 0.007 0.0435 0.0435
Onchocerca volvulus 0.007 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Onchocerca volvulus 0.0035 0.0149 0.3429
Echinococcus multilocularis dro:myosuppressin receptor 0.007 0.0435 0.0435
Schistosoma mansoni myosin xvIII 0.007 0.0435 0.0435
Echinococcus granulosus histone deacetylase 0.0042 0.02 0.02
Schistosoma mansoni biogenic amine (dopamine) receptor 0.007 0.0435 0.0435
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0149 0.7384
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0435 0.0435
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0149 1
Brugia malayi hypothetical protein 0.007 0.0435 0.4087
Schistosoma mansoni hypothetical protein 0.007 0.0435 0.0435
Echinococcus granulosus tm gpcr rhodopsin 0.007 0.0435 0.0435
Onchocerca volvulus 0.007 0.0435 1
Echinococcus granulosus biogenic amine 5HT receptor 0.007 0.0435 0.0435
Schistosoma mansoni adenoreceptor 0.007 0.0435 0.0435
Mycobacterium tuberculosis Conserved protein 0.0035 0.0149 0.0856
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0435 0.0435
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.007 0.0435 0.0435
Brugia malayi follicle stimulating hormone receptor 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0435 0.0435
Toxoplasma gondii histone deacetylase HDAC1 0.0042 0.02 1
Brugia malayi Carboxylesterase family protein 0.0104 0.072 0.6769
Brugia malayi hypothetical protein 0.007 0.0435 0.4087
Brugia malayi Serotonin/octopamine receptor family protein 7 0.007 0.0435 0.4087
Schistosoma mansoni biogenic amine receptor 0.007 0.0435 0.0435
Onchocerca volvulus 0.007 0.0435 1
Leishmania major histone deacetylase, putative 0.0042 0.02 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus multilocularis acetylcholinesterase 0.0104 0.072 0.072
Echinococcus granulosus neuropeptide receptor 0.007 0.0435 0.0435
Echinococcus multilocularis histone deacetylase 6 0.0042 0.02 0.02
Echinococcus granulosus acetylcholinesterase 0.0104 0.072 0.072
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.007 0.0435 0.0435
Echinococcus multilocularis neuropeptide s receptor 0.007 0.0435 0.0435
Echinococcus granulosus muscleblind protein 0.0145 0.1063 0.1063
Brugia malayi G protein-coupled receptor 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Mycobacterium tuberculosis Conserved protein 0.0035 0.0149 0.0856
Echinococcus granulosus somatostatin receptor 0.007 0.0435 0.0435
Echinococcus granulosus carboxylesterase 5A 0.0104 0.072 0.072
Brugia malayi sulfakinin receptor protein 0.007 0.0435 0.4087
Schistosoma mansoni hypothetical protein 0.007 0.0435 0.0435
Echinococcus granulosus g protein coupled receptor 0.007 0.0435 0.0435
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.007 0.0435 0.4087
Trypanosoma cruzi histone deacetylase, putative 0.0042 0.02 1
Echinococcus multilocularis acetylcholinesterase 0.0104 0.072 0.072
Schistosoma mansoni histamine h1 receptor 0.007 0.0435 0.0435
Entamoeba histolytica protein kinase, putative 0.1219 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.007 0.0435 0.0435
Echinococcus multilocularis serotonin receptor 0.007 0.0435 0.0435
Schistosoma mansoni ap endonuclease 0.0018 0.0006 0.0006
Schistosoma mansoni amine GPCR 0.007 0.0435 0.0435
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.007 0.0435 0.0435
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.007 0.0435 0.0435
Onchocerca volvulus 0.007 0.0435 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.007 0.0435 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0006 0.0399
Brugia malayi Serotonin receptor 0.007 0.0435 0.4087
Echinococcus granulosus neuropeptide receptor 0.007 0.0435 0.0435
Echinococcus multilocularis histone deacetylase 0.0042 0.02 0.02
Onchocerca volvulus 0.007 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0149 0.1401
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0006 0.0056
Schistosoma mansoni neuropeptide receptor 0.007 0.0435 0.0435
Brugia malayi ORL1-like opioid receptor 0.007 0.0435 0.4087
Brugia malayi GnHR receptor homolog 0.007 0.0435 0.4087
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Brugia malayi hypothetical protein 0.007 0.0435 0.4087
Echinococcus multilocularis G protein coupled receptor 139 0.007 0.0435 0.0435
Onchocerca volvulus 0.007 0.0435 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0435 0.0435
Onchocerca volvulus 0.007 0.0435 1
Echinococcus multilocularis neuropeptide receptor 0.007 0.0435 0.0435
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.007 0.0435 0.4087
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.044 0.044
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0149 0.0149
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.007 0.0435 0.4087
Schistosoma mansoni alpha-1 adrenergic receptor 0.007 0.0435 0.0435
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0224 0.0224
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0435 0.0435
Echinococcus granulosus histone deacetylase 6 0.0042 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0224 0.0224
Loa Loa (eye worm) hypothetical protein 0.0035 0.0149 0.1401
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0006 0.0006
Entamoeba histolytica hypothetical protein 0.007 0.044 0.0435
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0435 0.0435
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0149 0.0149
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0435 0.0435
Echinococcus multilocularis fmrfamide receptor 0.007 0.0435 0.0435
Brugia malayi beta-lactamase family protein 0.0035 0.0149 0.1401
Echinococcus granulosus allatostatin A receptor 0.007 0.0435 0.0435
Onchocerca volvulus 0.007 0.0435 1
Plasmodium vivax histone deacetylase 2, putative 0.0042 0.02 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0006 0.0399
Onchocerca volvulus 0.0035 0.0149 0.3429
Brugia malayi Serotonin receptor 0.007 0.0435 0.4087
Schistosoma mansoni hypothetical protein 0.007 0.044 0.044
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.007 0.0435 0.0435
Echinococcus multilocularis carboxylesterase 5A 0.0104 0.072 0.072
Brugia malayi beta-lactamase family protein 0.0035 0.0149 0.1401
Brugia malayi G-protein coupled receptor 0.007 0.0435 0.4087
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0006 0.0034
Brugia malayi hypothetical protein 0.007 0.0435 0.4087
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.007 0.0435 0.0435
Echinococcus granulosus acetylcholinesterase 0.0104 0.072 0.072
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0799 0.6507 0.6507
Mycobacterium ulcerans beta-lactamase 0.0035 0.0149 1
Schistosoma mansoni neuropeptide f receptor 76f 0.007 0.0435 0.0435
Echinococcus granulosus biogenic amine 5HT receptor 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Brugia malayi Dopamine receptor 0.007 0.0435 0.4087
Trypanosoma cruzi histone deacetylase, putative 0.0042 0.02 1
Brugia malayi Dopamine receptor protein 2 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.007 0.0435 0.0435
Echinococcus granulosus g-protein coupled receptor 0.007 0.0435 0.0435
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.007 0.0435 0.0435
Schistosoma mansoni biogenic amine (5HT) receptor 0.007 0.0435 0.0435
Echinococcus granulosus neuropeptides capa receptor 0.007 0.0435 0.0435
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0006 0.5
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0149 0.0856
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Plasmodium falciparum histone deacetylase, putative 0.0042 0.02 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.0035 0.0149 0.1401
Loa Loa (eye worm) G-protein coupled receptor 0.007 0.0435 0.4087
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0435 0.0435
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0149 0.1401
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0149 0.1401
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0435 0.0435
Leishmania major histone deacetylase, putative 0.0042 0.02 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0006 0.5
Mycobacterium tuberculosis Conserved protein 0.0035 0.0149 0.0856
Onchocerca volvulus 0.007 0.0435 1
Leishmania major hypothetical protein, conserved 0.0035 0.0149 0.7384
Schistosoma mansoni peptide (allatostatin)-like receptor 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Brugia malayi putative neuropeptide receptor NPR1 0.007 0.0435 0.4087
Onchocerca volvulus 0.0035 0.0149 0.3429
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0104 0.072 0.072
Loa Loa (eye worm) melatonin receptor type 1A 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Loa Loa (eye worm) TYRA-2 protein 0.007 0.0435 0.4087
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0149 0.0856
Brugia malayi Melatonin receptor type 1A 0.007 0.0435 0.4087
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0149 1
Onchocerca volvulus 0.007 0.0435 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0435 0.0435
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0149 0.0856
Toxoplasma gondii ABC1 family protein 0.0035 0.0149 0.7384
Schistosoma mansoni histone deacetylase 4 5 0.0042 0.02 0.02
Schistosoma mansoni histone deacetylase 4 5 0.0042 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus granulosus G protein coupled receptor 139 0.007 0.0435 0.0435
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0006 0.0006
Entamoeba histolytica hypothetical protein 0.007 0.044 0.0435
Brugia malayi gonadotropin-releasing hormone receptor 2 0.007 0.0435 0.4087
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0435 0.0435
Echinococcus granulosus fmrfamide receptor 0.007 0.0435 0.0435
Brugia malayi Tachykinin-like peptides receptor 99D 0.007 0.0435 0.4087
Plasmodium falciparum histone deacetylase 2 0.0042 0.02 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Mycobacterium ulcerans hypothetical protein 0.0035 0.0149 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus granulosus histone deacetylase 6 0.0042 0.02 0.02
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0006 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0149 0.0149
Brugia malayi hypothetical protein 0.007 0.0435 0.4087
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.1218 0.9996 0.9996
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.007 0.0435 0.4087
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Loa Loa (eye worm) acetylcholinesterase 1 0.0104 0.072 0.6769
Entamoeba histolytica protein kinase, putative 0.1219 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0149 0.1401
Loa Loa (eye worm) histone deacetylase 0.0042 0.02 0.1878
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0149 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0149 0.5
Schistosoma mansoni biogenic amine receptor 0.007 0.0435 0.0435
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.0042 0.02 0.1878
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.1219 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.1741 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.007 0.0435 0.0435
Schistosoma mansoni serine/threonine protein kinase 0.1219 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.007 0.0435 0.0435
Echinococcus granulosus g protein coupled receptor 0.007 0.0435 0.0435
Brugia malayi Carboxylesterase family protein 0.0104 0.072 0.6769
Echinococcus multilocularis neuropeptides capa receptor 0.007 0.0435 0.0435
Onchocerca volvulus 0.007 0.0435 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0224 0.0224
Trypanosoma brucei histone deacetylase 4 0.0042 0.02 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0149 0.0856
Echinococcus multilocularis tachykinin peptides receptor 99D 0.007 0.0435 0.0435
Echinococcus multilocularis muscleblind protein 0.0145 0.1063 0.1063
Brugia malayi G-protein coupled receptor 0.007 0.0435 0.4087
Brugia malayi hypothetical protein 0.007 0.0435 0.4087
Brugia malayi hypothetical protein 0.007 0.0435 0.4087
Brugia malayi AKH receptor 0.007 0.0435 0.4087
Schistosoma mansoni amine GPCR 0.007 0.0435 0.0435
Schistosoma mansoni neuropeptide receptor 0.007 0.0435 0.0435
Schistosoma mansoni hypothetical protein 0.007 0.0435 0.0435
Brugia malayi beta-lactamase 0.0035 0.0149 0.1401
Plasmodium vivax histone deacetylase, putative 0.0042 0.02 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.007 0.0435 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.007 0.0435 0.0435
Onchocerca volvulus 0.007 0.0435 1
Brugia malayi putative neuropeptide receptor 0.007 0.0435 0.4087
Brugia malayi Histone deacetylase family protein 0.0042 0.02 0.1878
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0224 0.0224
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0224 0.0224
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.007 0.0435 0.0435
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.007 0.0435 0.0435
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0435 0.0435
Schistosoma mansoni opsin-like receptor 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0435 0.0435
Entamoeba histolytica hypothetical protein 0.007 0.044 0.0435
Brugia malayi hypothetical protein 0.007 0.0435 0.4087
Echinococcus multilocularis neuropeptide receptor 0.007 0.0435 0.0435
Echinococcus granulosus histone deacetylase 6 0.0042 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.0035 0.0149 0.1401
Echinococcus granulosus g protein coupled receptor 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Loa Loa (eye worm) carboxylesterase 0.0104 0.072 0.6769
Brugia malayi neuropeptide F receptor 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus granulosus 7TM GPCR rhodopsin 0.007 0.0435 0.0435
Echinococcus multilocularis somatostatin receptor 0.007 0.0435 0.0435
Echinococcus granulosus neuropeptides capa receptor 0.007 0.0435 0.0435
Echinococcus multilocularis histone deacetylase 6 0.0042 0.02 0.02
Echinococcus granulosus neuropeptide FF receptor 2 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.0104 0.072 0.6769
Loa Loa (eye worm) G-protein coupled receptor 0.007 0.0435 0.4087
Brugia malayi G protein-coupled receptor F59B2.13 0.007 0.0435 0.4087
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus granulosus neuropeptide receptor A26 0.007 0.0435 0.0435
Schistosoma mansoni neuropeptide receptor 0.007 0.0435 0.0435
Brugia malayi larval opioid receptor 0.007 0.0435 0.4087
Echinococcus multilocularis rhodopsin orphan GPCR 0.007 0.0435 0.0435
Echinococcus granulosus peptide allatostatin:somatostatin 0.007 0.0435 0.0435
Trypanosoma brucei histone deacetylase, putative 0.0042 0.02 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.1218 0.9996 0.9996
Brugia malayi Dopamine receptor protein 1 0.007 0.0435 0.4087
Echinococcus granulosus rhodopsin orphan GPCR 0.007 0.0435 0.0435
Echinococcus granulosus tm gpcr rhodopsin 0.007 0.0435 0.0435
Echinococcus granulosus neuropeptide Y receptor 0.007 0.0435 0.0435
Onchocerca volvulus 0.007 0.0435 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.007 0.0435 0.0435
Brugia malayi hypothetical protein 0.007 0.044 0.4139
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.007 0.0435 0.0435
Trichomonas vaginalis esterase, putative 0.0035 0.0149 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0006 0.0399
Echinococcus multilocularis sex peptide receptor 0.007 0.0435 0.0435
Schistosoma mansoni rhodopsin-like orphan GPCR 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0435 0.4087
Echinococcus granulosus orexin receptor type 2 0.007 0.0435 0.0435
Echinococcus granulosus histone deacetylase 7 0.0042 0.02 0.02
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.007 0.0435 0.4087
Echinococcus multilocularis neuropeptide FF receptor 2 0.007 0.0435 0.0435
Schistosoma mansoni growth hormone secretagogue receptor 0.007 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.0035 0.0149 0.1401

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.86 uM Inhibition of 17beta-HSD3 ChEMBL. 16797984
IC50 (binding) = 2.86 uM Inhibition of 17beta-HSD3 ChEMBL. 16797984
Inhibition (binding) = 83.53 % Inhibition of 17beta-HSD3 at 100 uM ChEMBL. 16797984
Inhibition (binding) = 83.53 % Inhibition of 17beta-HSD3 at 100 uM ChEMBL. 16797984

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.

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