Detailed information for compound 50229

Basic information

Technical information
  • TDR Targets ID: 50229
  • Name: (R)-(4-methylphenyl)-[(8R)-3-methyl-5,6,7,8-t etrahydroquinolin-8-yl]methanol
  • MW: 267.365 | Formula: C18H21NO
  • H donors: 1 H acceptors: 2 LogP: 3.45 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)[C@@H]([C@@H]1CCCc2c1ncc(c2)C)O
  • InChi: 1S/C18H21NO/c1-12-6-8-14(9-7-12)18(20)16-5-3-4-15-10-13(2)11-19-17(15)16/h6-11,16,18,20H,3-5H2,1-2H3/t16-,18+/m1/s1
  • InChiKey: CTMXDFKAKWMHIE-AEFFLSMTSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (R)-[(8R)-3-methyl-5,6,7,8-tetrahydroquinolin-8-yl]-(p-tolyl)methanol

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
Loa Loa (eye worm) AGC/AKT protein kinase 0.0085 0.0134 0.0134
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0103 0.0213 0.0213
Schistosoma mansoni nAChR subunit 0.0103 0.0213 0.0213
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0057 0.0005 0.5
Trichomonas vaginalis AGC family protein kinase 0.0085 0.0134 0.1597
Trichomonas vaginalis conserved hypothetical protein 0.0235 0.081 1
Onchocerca volvulus 0.0103 0.0213 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0235 0.081 0.7117
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0103 0.0213 0.0213
Echinococcus granulosus regulator of G protein signaling 3 0.0235 0.081 0.081
Schistosoma mansoni axis inhibition protein axin 0.0235 0.081 0.081
Brugia malayi regulator of G-protein signaling rgs-7 0.0235 0.081 0.7117
Trichomonas vaginalis conserved hypothetical protein 0.0235 0.081 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.026 0.0922 0.8096
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0103 0.0213 0.0213
Echinococcus granulosus axis inhibition protein axin 0.0235 0.081 0.081
Echinococcus multilocularis glycine receptor subunit beta 0.0103 0.0213 0.0213
Echinococcus granulosus glycine receptor subunit alpha 1 0.0103 0.0213 0.0213
Plasmodium vivax calcium-dependent protein kinase 7, putative 0.0057 0.0005 0.5
Echinococcus granulosus nAChR subunit 0.0103 0.0213 0.0213
Leishmania major folate/biopterin transporter, putative 0.0057 0.0005 0.5
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0103 0.0213 0.0213
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0103 0.0213 0.0213
Schistosoma mansoni serine/threonine-protein kinase 0.0057 0.0005 0.0005
Schistosoma mansoni z-protein (S1r protein) 0.0235 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0235 0.081 0.081
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.0057 0.0005 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Trichomonas vaginalis conserved hypothetical protein 0.0235 0.081 1
Echinococcus multilocularis rac serine:threonine kinase 0.0057 0.0005 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0235 0.081 1
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0235 0.081 0.081
Echinococcus granulosus glycine receptor subunit beta 0.0103 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Brugia malayi regulator of G-protein signaling egl-10 0.0235 0.081 0.7117
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0235 0.081 0.081
Trypanosoma cruzi serine/threonine-protein kinase NRKB, putative 0.0057 0.0005 0.5
Plasmodium falciparum calcium-dependent protein kinase 7 0.0057 0.0005 0.5
Echinococcus multilocularis expressed protein 0.0235 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Brugia malayi PXA domain containing protein 0.0235 0.081 0.7117
Schistosoma mansoni nAChR subunit 0.0103 0.0213 0.0213
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0103 0.0213 0.0213
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0103 0.0213 0.1869
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Echinococcus granulosus axis inhibition protein axin 0.0235 0.081 0.081
Onchocerca volvulus 0.0103 0.0213 1
Entamoeba histolytica hypothetical protein 0.0235 0.081 1
Brugia malayi A-kinase anchor protein 10, precursor 0.0235 0.081 0.7117
Schistosoma mansoni nAChR subunit 0.0103 0.0213 0.0213
Trichomonas vaginalis AGC family protein kinase 0.0085 0.0134 0.1597
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0235 0.081 0.081
Toxoplasma gondii calcium dependent protein kinase CDPK7 0.0057 0.0005 0.5
Toxoplasma gondii protein kinase domain-containing protein 0.0057 0.0005 0.5
Entamoeba histolytica hypothetical protein 0.0235 0.081 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0103 0.0213 0.0213
Schistosoma mansoni axis inhibition protein axin 0.0235 0.081 0.081
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0103 0.0213 0.0213
Brugia malayi Cation transporter family protein 0.0103 0.0213 0.1869
Echinococcus multilocularis glycine receptor subunit beta 0.0103 0.0213 0.0213
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0103 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Echinococcus multilocularis Regulator of G protein signaling 20 0.0235 0.081 0.081
Schistosoma mansoni regulator of G protein signaling 0.0235 0.081 0.081
Loa Loa (eye worm) ACC-1 protein 0.0103 0.0213 0.0213
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0103 0.0213 0.1869
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0103 0.0213 0.1869
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0103 0.0213 0.0213
Echinococcus granulosus glycine receptor subunit alpha 1 0.0103 0.0213 0.0213
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0057 0.0005 0.5
Brugia malayi Pleckstrin Homology Domain 0.0071 0.007 0.0615
Loa Loa (eye worm) hypothetical protein 0.0235 0.081 0.081
Echinococcus granulosus myotubularin protein 13 0.0071 0.007 0.007
Schistosoma mansoni nAChR subunit 0.0103 0.0213 0.0213
Echinococcus multilocularis nAChR subunit 0.0103 0.0213 0.0213
Loa Loa (eye worm) PXA domain-containing protein 0.0235 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Schistosoma mansoni regulator of G protein signaling 0.0235 0.081 0.081
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0103 0.0213 0.0213
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0103 0.0213 0.1869
Trichomonas vaginalis conserved hypothetical protein 0.0235 0.081 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0103 0.0213 0.1869
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0103 0.0213 0.1869
Echinococcus granulosus Regulator of G protein signaling 20 0.0235 0.081 0.081
Schistosoma mansoni regulator of G protein signaling 0.0235 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Echinococcus multilocularis myotubularin protein 13 0.0071 0.007 0.007
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0103 0.0213 0.0213
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0103 0.0213 0.1869
Echinococcus granulosus G protein coupled receptor kinase 1 0.2038 0.894 0.894
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0103 0.0213 0.0213
Schistosoma mansoni serine/threonine protein kinase 0.2273 1 1
Schistosoma mansoni regulator of G protein signaling 0.0235 0.081 0.081
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0057 0.0005 0.5
Schistosoma mansoni serine/threonine protein kinase 0.2273 1 1
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.2273 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0103 0.0213 0.1869
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0057 0.0005 0.5
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0103 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0213 0.0708 0.0708
Trichomonas vaginalis AGC family protein kinase 0.0085 0.0134 0.1597
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Trichomonas vaginalis AGC family protein kinase 0.0085 0.0134 0.1597
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0241 0.0839 0.0839
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0057 0.0005 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Schistosoma mansoni serine/threonine-protein kinase 0.0057 0.0005 0.0005
Echinococcus multilocularis regulator of G protein signaling 7 0.0235 0.081 0.081
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0103 0.0213 0.0213
Loa Loa (eye worm) ACC-1 protein 0.0103 0.0213 0.0213
Echinococcus multilocularis regulator of G protein signaling 3 0.0235 0.081 0.081
Loa Loa (eye worm) LGC-31 protein 0.0103 0.0213 0.0213
Trichomonas vaginalis AGC family protein kinase 0.0085 0.0134 0.1597
Echinococcus granulosus regulator of G protein signaling 7 0.0235 0.081 0.081
Brugia malayi Cation transporter family protein 0.0103 0.0213 0.1869
Echinococcus multilocularis protein kinase c iota type 0.0336 0.1267 0.1267
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0103 0.0213 0.0213
Trichomonas vaginalis conserved hypothetical protein 0.0235 0.081 1
Entamoeba histolytica hypothetical protein 0.0235 0.081 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0103 0.0213 0.1869
Trypanosoma cruzi NIMA-related kinase, putative 0.0057 0.0005 0.5
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0241 0.0839 0.7366
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0103 0.0213 0.1869
Schistosoma mansoni regulator of G protein signaling 0.0235 0.081 0.081
Schistosoma mansoni nAChR subunit 0.0103 0.0213 0.0213
Echinococcus multilocularis regulator of G protein signaling 7 0.0235 0.081 0.081
Echinococcus granulosus regulator of G protein signaling 7 0.0235 0.081 0.081
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0235 0.081 0.081
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0103 0.0213 0.0213
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0103 0.0213 0.0213
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0329 0.1232 0.1232
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0235 0.081 0.081
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0103 0.0213 0.0213
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0103 0.0213 0.0213
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0103 0.0213 0.0213
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0103 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0235 0.081 0.081
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0057 0.0005 0.5
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0103 0.0213 0.0213
Brugia malayi Cation transporter family protein 0.0103 0.0213 0.1869
Loa Loa (eye worm) hypothetical protein 0.026 0.0922 0.0922
Schistosoma mansoni nAChR subunit 0.0103 0.0213 0.0213
Trypanosoma brucei rac serine-threonine kinase, putative 0.0085 0.0134 1
Brugia malayi PXA domain containing protein 0.0235 0.081 0.7117
Brugia malayi Protein kinase domain containing protein 0.0085 0.0134 0.1177
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0235 0.081 0.081
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0057 0.0005 0.5
Onchocerca volvulus 0.0103 0.0213 1
Leishmania major protein kinase, putative 0.0057 0.0005 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.007 0.007
Echinococcus granulosus glycine receptor subunit beta 0.0103 0.0213 0.0213
Onchocerca volvulus Putative nachr subunit 0.0103 0.0213 1
Brugia malayi protein kinase C3,putative 0.0308 0.1139 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.007 0.007
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0103 0.0213 0.0213
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0103 0.0213 0.0213
Trichomonas vaginalis AGC family protein kinase 0.0085 0.0134 0.1597
Entamoeba histolytica protein kinase, putative 0.0085 0.0134 0.1597
Echinococcus granulosus glycine receptor subunit alpha 1 0.0103 0.0213 0.0213
Echinococcus granulosus regulator of G protein signaling 3 0.0235 0.081 0.081
Echinococcus multilocularis G protein coupled receptor kinase 1 0.2038 0.894 0.894
Onchocerca volvulus 0.0103 0.0213 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Echinococcus multilocularis regulator of G protein signaling 3 0.0235 0.081 0.081
Trypanosoma cruzi NIMA-related kinase, putative 0.0057 0.0005 0.5
Trypanosoma cruzi Protein kinase B 0.0057 0.0005 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0103 0.0213 0.0213
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0103 0.0213 0.1869
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0235 0.081 0.081
Leishmania major serine/threonine-protein kinase a, putative 0.0057 0.0005 0.5
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0103 0.0213 0.0213
Leishmania major protein kinase, putative 0.0057 0.0005 0.5
Echinococcus granulosus expressed protein 0.0235 0.081 0.081
Onchocerca volvulus 0.0103 0.0213 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.081 0.081
Brugia malayi Regulator of G protein signaling domain containing protein 0.0235 0.081 0.7117
Schistosoma mansoni serine/threonine protein kinase 0.0241 0.0839 0.0839
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0057 0.0005 0.5
Schistosoma mansoni vav2 0.0071 0.007 0.007
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0103 0.0213 0.1869
Loa Loa (eye worm) hypothetical protein 0.0235 0.081 0.081
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0103 0.0213 0.1869
Echinococcus multilocularis axis inhibition protein axin 0.0235 0.081 0.081
Onchocerca volvulus 0.0103 0.0213 1
Echinococcus granulosus serine/threonine protein kinase 0.0057 0.0005 0.0005
Echinococcus multilocularis axis inhibition protein axin 0.0235 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Echinococcus granulosus protein kinase c iota type 0.0336 0.1267 0.1267
Trichomonas vaginalis AGC family protein kinase 0.0085 0.0134 0.1597
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0057 0.0005 0.5
Trichomonas vaginalis AGC family protein kinase 0.0085 0.0134 0.1597
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0103 0.0213 0.1869
Brugia malayi hypothetical protein 0.0235 0.081 0.7117
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0103 0.0213 0.0213
Echinococcus multilocularis beta adrenergic receptor kinase 0.2273 1 1
Schistosoma mansoni nAChR subunit 0.0103 0.0213 0.0213
Schistosoma mansoni atypical protein kinase C 0.0357 0.136 0.136
Loa Loa (eye worm) hypothetical protein 0.0103 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.04 0.1552 0.1552
Entamoeba histolytica protein kinase, putative 0.0085 0.0134 0.1597
Brugia malayi hypothetical protein 0.0235 0.081 0.7117
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0103 0.0213 0.0213
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0103 0.0213 0.1869
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0103 0.0213 0.1869
Echinococcus multilocularis regulator of G protein signaling 0.0235 0.081 0.081
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0235 0.081 1
Loa Loa (eye worm) RGS-3 protein 0.0235 0.081 0.081
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0103 0.0213 0.0213

Activities

Activity type Activity value Assay description Source Reference
Change (binding) = -49 % Inhibition of 5-lipoxygenase pathway in rat polymorphonuclear assay (inhibition of 5-HETE formation) ChEMBL. 7739006
Change (binding) = -49 % Inhibition of 5-lipoxygenase pathway in rat polymorphonuclear assay (inhibition of 5-HETE formation) ChEMBL. 7739006
Change (binding) = -48 % Inhibition of 5-lipoxygenase pathway in rat polymorphonuclear assay, by ability to inhibit formation of LTB4 AT 10 microM. ChEMBL. 7739006
Change (binding) = -48 % Inhibition of 5-lipoxygenase pathway in rat polymorphonuclear assay, by ability to inhibit formation of LTB4 AT 10 microM. ChEMBL. 7739006
Change (functional) = -33 % Antiinflammatory activity by rat Carrageenan edema assay at 50 mg/kg peroral administration (3h edema). ChEMBL. 7739006
Change (binding) = 36 % Inhibition of Prostaglandin G/H synthase pathway in rat polymorphonuclear assay by ability to inhibit formation of PGE-2 at 10 microM. ChEMBL. 7739006
Change (binding) = 36 % Inhibition of Prostaglandin G/H synthase pathway in rat polymorphonuclear assay by ability to inhibit formation of PGE-2 at 10 microM. ChEMBL. 7739006
Change (functional) = 49 % Antiinflammatory activity by rat adjuvant arthritis assay at 30 mg/kg peroral administration (3h edema). ChEMBL. 7739006
Change (binding) = 53 % Inhibition of prostaglandin G/H synthase pathway in rat polymorphonuclear assay by ability to inhibit formation of TXB2 at 10 uM. ChEMBL. 7739006
Change (binding) = 53 % Inhibition of prostaglandin G/H synthase pathway in rat polymorphonuclear assay by ability to inhibit formation of TXB2 at 10 uM. ChEMBL. 7739006

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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