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Inhibitor Report for: Morpholino-Talinolol

Derivative of Talinolol unselective antagonist of the beta adrenergic receptors (betaAR). Much better inhibitor of soluble epoxide hydrolase than talinolol IC50 0.077+/-0.004 muM


General
Type Urea derivative, Not A/B H target, Adrenergic-Receptor-ligand, Morpholine
Chemical_Nomenclature 1-[4-[[(2S)-4-tert-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexylurea
Canonical SMILES CC(C)(C)N1CCOC(C1)COC2=CC=C(C=C2)NC(=O)NC3CCCCC3
InChI InChI=1S/C22H35N3O3/c1-22(2,3)25-13-14-27-20(15-25)16-28-19-11-9-18(10-12-19)24-21(26)23-17-7-5-4-6-8-17/h9-12,17,20H,4-8,13-16H2,1-3H3,(H2,23,24,26)/t20-/m0/s1
InChIKey PSVUAGRHPQWOOO-FQEVSTJZSA-N
Other name(s) G3T
________________________________________________________________________________________________
MW|389.53
Formula|C22H35N3O3
CAS_number|
PubChem|138454247
UniChem|PSVUAGRHPQWOOO-FQEVSTJZSA-N
IUPHAR|
Wikipedia|

Target
Families | Morpholino-Talinolol ligand of proteins in family: Epoxide_hydrolase
Stucture | 1 structure: 6HGX: Soluble epoxide hydrolase in complex with 1-(4-((4-(tert-butyl)morpholin-2-yl)methoxy)phenyl)-3-cyclohexylurea
Protein | human-EPHX2

References:
Search PubMed for references concerning: Morpholino-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