CHEMBL3086040
This a tool compound reported as a prolylcarboxypeptidase (PRCP) inhibitor. Prolylcarboxypeptidase is being investigated as a novel target for anti-obesity therapeutics due to its role in regulating metabolism
General
Type : Pyridine, Carboxamide, Morpholine
Chemical_Nomenclature : (1R,2R,4R)-2-(4-bromophenyl)-N-[(4-chlorophenyl)-(2-fluoropyridin-4-yl)methyl]-4-morpholin-4-ylcyclohexane-1-carboxamide
Canonical SMILES : C1CC(C(CC1N2CCOCC2)C3=CC=C(C=C3)Br)C(=O)NC(C4=CC=C(C=C4)Cl)C5=CC(=NC=C5)F
InChI : InChI=1S\/C29H30BrClFN3O2\/c30-22-5-1-19(2-6-22)26-18-24(35-13-15-37-16-14-35)9-10-25(26)29(36)34-28(20-3-7-23(31)8-4-20)21-11-12-33-27(32)17-21\/h1-8,11-12,17,24-26,28H,9-10,13-16,18H2,(H,34,36)\/t24-,25-,26+,28?\/m1\/s1
InChIKey : ABJSOROVZZKJGI-OCYUSGCXSA-N
Other name(s) : GTPL8554, SCHEMBL12152062, BDBM50443348, Compound 35 [PMID: 24157366], US8669252, 12
MW : 586.92
Formula : C29H30BrClFN3O2
CAS_number :
PubChem : 54670056
UniChem : ABJSOROVZZKJGI-OCYUSGCXSA-N
IUPHAR : 8554
Target
Families : CHEMBL3086040 ligand of proteins in family
Prolylcarboxypeptidase
Protein :
human-PRCP
References (1)
| Title : Discovery and optimization of orally active cyclohexane-based prolylcarboxypeptidase (PrCP) inhibitors - Debenham_2013_Bioorg.Med.Chem.Lett_23_6228 |
| Author(s) : Debenham JS , Graham TH , Verras A , Zhang Y , Clements MJ , Kuethe JT , Madsen-Duggan C , Liu W , Bhatt UR , Chen D , Chen Q , Garcia-Calvo M , Geissler WM , He H , Li X , Lisnock J , Shen Z , Tong X , Tung EC , Wiltsie J , Xu S , Hale JJ , Pinto S , Shen DM |
| Ref : Bioorganic & Medicinal Chemistry Lett , 23 :6228 , 2013 |
| PubMedID: 24157366 |