ZINC12863377
ZINC12863377 with an IC50 value of 39 nM.
General
Type : Pyrrolidine,Indole,Carboxamide
Chemical_Nomenclature : (3R)-N-(3,5-dimethylphenyl)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
Canonical SMILES : CC1=CC(=CC(=C1)NC(=O)C2CC(=O)N(C2)CCC3=CNC4=C3C=C(C=C4)F)C
InChI : InChI=1S\/C23H24FN3O2\/c1-14-7-15(2)9-19(8-14)26-23(29)17-10-22(28)27(13-17)6-5-16-12-25-21-4-3-18(24)11-20(16)21\/h3-4,7-9,11-12,17,25H,5-6,10,13H2,1-2H3,(H,26,29)\/t17-\/m1\/s1
InChIKey : VMQZFDPAEMQAQV-QGZVFWFLSA-N
Other name(s) : CHEMBL3318317,BDBM50049457
MW : 393.5
Formula : C23H24FN3O2
CAS_number :
PubChem : 25561014
UniChem : VMQZFDPAEMQAQV-QGZVFWFLSA-N
IUPHAR :
Wikipedia :
Target
Families : ZINC12863377 ligand of proteins in family: Monoglyceridelipase_lysophospholip
Stucture :
Protein : human-MGLL
References (1)
| Title : Docking based virtual screening and molecular dynamics study to identify potential monoacylglycerol lipase inhibitors - Afzal_2014_Bioorg.Med.Chem.Lett_24_3986 |
| Author(s) : Afzal O , Kumar S , Kumar R , Firoz A , Jaggi M , Bawa S |
| Ref : Bioorganic & Medicinal Chemistry Lett , 24 :3986 , 2014 |
| Abstract : Afzal_2014_Bioorg.Med.Chem.Lett_24_3986 |
| ESTHER : Afzal_2014_Bioorg.Med.Chem.Lett_24_3986 |
| PubMedSearch : Afzal_2014_Bioorg.Med.Chem.Lett_24_3986 |
| PubMedID: 25011912 |