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Inhibitor Report for: SCHEMBL19582562

IC50 values lower than 100 nM on ABHD6, slightly selective for ABHD6 versus MAGL and FAAH. Abide Therapeutics Inc. WO 2017197192, 2017 Bononi et al.


General
Type Morpholine, Carbamate, Triflouro, Azaspiro
Chemical_Nomenclature 1,1,1,3,3,3-hexafluoropropan-2-yl 2-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
Canonical SMILES C1CN(CCC12CCN(C2)CC3=CC(=C(C=C3)N4CCOCC4)Cl)C(=O)OC(C(F)(F)F)C(F)(F)F
InChI InChI=1S/C23H28ClF6N3O3/c24-17-13-16(1-2-18(17)32-9-11-35-12-10-32)14-31-6-3-21(15-31)4-7-33(8-5-21)20(34)36-19(22(25,26)27)23(28,29)30/h1-2,13,19H,3-12,14-15H2
InChIKey ZXUGKLWKYVLXDW-UHFFFAOYSA-N
Other name(s) US10030020, Example 138 ; SCHEMBL19582562 ; BDBM280593
________________________________________________________________________________________________
MW|543.9
Formula|C23H28ClF6N3O3
CAS_number|
PubChem|132114783
UniChem|ZXUGKLWKYVLXDW-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | SCHEMBL19582562 ligand of proteins in family: ABHD6-Lip
Protein | human-ABHD6

References:
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