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Inhibitor Report for: Talinolol

Unselective antagonist of the beta adrenergic receptors (betaAR). Inhibitor of soluble epoxide hydrolase IC50 2.8+/-0.2 muM


General
Type Urea derivative, Not A/B H target, Adrenergic-Receptor-ligand
Chemical_Nomenclature 1-[4-[3-(~{tert}-butylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
Canonical SMILES CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O
InChI InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)
InChIKey MXFWWQICDIZSOA-UHFFFAOYSA-N
Other name(s) Cordanum ; Racemic talinolol
________________________________________________________________________________________________
MW|363.50
Formula|C20H33N3O3
CAS_number|57460-41-0
PubChem|68770
UniChem|MXFWWQICDIZSOA-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Talinolol ligand of proteins in family: Epoxide_hydrolase
Stucture | 1 structure: 6HGV: Soluble epoxide hydrolase in complex with talinolol
Protein | human-EPHX2

References:
Search PubMed for references concerning: Talinolol
    Title: Computer-Aided Selective Optimization of Side Activities of Talinolol
    Hiesinger K, Kramer JS, Achenbach J, Moser D, Weber J, Wittmann SK, Morisseau C, Angioni C, Geisslinger G and Proschak E <7 more author(s)>
    Ref: ACS Med Chem Lett, 10:899, 2019 : PubMed