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Inhibitor Report for: CHEMBL3402240-4A0-4Y2X

not really a good inhibitor IC50: 510 (nM) using PHOME as substrate, b ut better than many in the series


General
Type Adamantyl
Chemical_Nomenclature 2-[[2-(1-adamantyl)ethylamino]methyl]phenol
Canonical SMILES C1C2CC3CC1CC(C2)(C3)CCNCC4=CC=CC=C4O
InChI InChI=1S/C19H27NO/c21-18-4-2-1-3-17(18)13-20-6-5-19-10-14-7-15(11-19)9-16(8-14)12-19/h1-4,14-16,20-21H,5-13H2
InChIKey ZQPUAJLAXSAIEG-UHFFFAOYSA-N
Other name(s) CHEMBL3402240 ; 2-[({2-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1-Yl]ethyl}amino)methyl]phenol ; ZINC4560144 ; BDBM50068104 ; 4A0
________________________________________________________________________________________________
MW|285.4
Formula|C19H27NO
CAS_number|
PubChem|2921482
UniChem|ZQPUAJLAXSAIEG-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | CHEMBL3402240-4A0-4Y2X ligand of proteins in family: Epoxide_hydrolase
Stucture | 1 structure: 4Y2X: Structure of soluble epoxide hydrolase in complex with 2-({[2-(adamantan-1-yl)ethyl]amino}methyl)phenol
Protein | human-EPHX2

References:
Search PubMed for references concerning: CHEMBL3402240-4A0-4Y2X
    Title: Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
    Amano Y, Tanabe E, Yamaguchi T
    Ref: Bioorganic & Medicinal Chemistry, :, 2015 : PubMed