ABC44
General
Type : Carbamate,Piperidine,N-hydroxyhydantoin
Chemical_Nomenclature : 7-((1-Benzylpiperidin-4-yl)methyl)-1,3-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl 4-(4-methoxyphenyl)piperazine-1-carboxylate
Canonical SMILES : COC1=CC=C(C=C1)N2CCN(CC2)C(=O)ON3C(=O)C4CN(CCN4C3=O)CC5CCN(CC5)CC6=CC=CC=C6
InChI : InChI=1S\/C31H40N6O5\/c1-41-27-9-7-26(8-10-27)34-16-18-35(19-17-34)31(40)42-37-29(38)28-23-33(15-20-36(28)30(37)39)22-25-11-13-32(14-12-25)21-24-5-3-2-4-6-24\/h2-10,25,28H,11-23H2,1H3
InChIKey : YHRQLTHMALGXOG-UHFFFAOYSA-N
Other name(s) : SCHEMBL17275252
MW : 576.7
Formula : C31H40N6O5
CAS_number : 1831135-46-6
PubChem : 118525530
UniChem : YHRQLTHMALGXOG-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : ABC44 ligand of proteins in family: Palmitoyl-protein_thioesterase
Stucture :
Protein : human-PPT1
References (1)
| Title : Selective N-Hydroxyhydantoin Carbamate Inhibitors of Mammalian Serine Hydrolases - Cognetta_2015_Chem.Biol_22_928 |
| Author(s) : Cognetta AB, 3rd , Niphakis MJ , Lee HC , Martini ML , Hulce JJ , Cravatt BF |
| Ref : Chemical Biology , 22 :928 , 2015 |
| Abstract : Cognetta_2015_Chem.Biol_22_928 |
| ESTHER : Cognetta_2015_Chem.Biol_22_928 |
| PubMedSearch : Cognetta_2015_Chem.Biol_22_928 |
| PubMedID: 26120000 |