CHEMBL1910111
similar to CHEMBL1909991 CHEMBL1910114 CHEMBL2441952
General
Type : Pyrrolidine,Pyridine,Pyrimidine
Chemical_Nomenclature : methyl 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]acetate
Canonical SMILES : CC1=C(C(=C2CN(C(=O)C2=N1)CC(=O)OC)C3=C(C=C(C=C3)Cl)Cl)CN
InChI : InChI=1S\/C18H17Cl2N3O3\/c1-9-12(6-21)16(11-4-3-10(19)5-14(11)20)13-7-23(8-15(24)26-2)18(25)17(13)22-9\/h3-5H,6-8,21H2,1-2H3
InChIKey : ZPJLWUGRTVIDEI-UHFFFAOYSA-N
Other name(s) : SCHEMBL2705244,BDBM50356580,LGE,Methyl [3-(Aminomethyl)-4-(2,4-Dichlorophenyl)-2-Methyl-7-Oxo-5,7-Dihydro-6h-Pyrrolo[3,4-B]pyridin-6-Yl]acetate
MW : 394.25
Formula : C18H17Cl2N3O3
CAS_number :
PubChem : 15950538
UniChem : ZPJLWUGRTVIDEI-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL1910111 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 3Q0T Crystal structure of human dpp-IV in complex with SA-(+)- methyl2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl- 7-oxo-5H-pyrrolo[3,4-B]pyridin-6(7H)-yl)acetate
Protein : human-DPP4 || human-DPP8
References (1)
| Title : Discovery of 6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxa mides as Potent, Selective Dipeptidyl Peptidase-4 (DPP4) Inhibitors - Meng_2010_J.Med.Chem_53_5620 |
| Author(s) : Meng W , Brigance RP , Chao HJ , Fura A , Harrity T , Marcinkeviciene J , O'Connor SP , Tamura JK , Xie D , Zhang Y , Klei HE , Kish K , Weigelt CA , Turdi H , Wang A , Zahler R , Kirby MS , Hamann LG |
| Ref : Journal of Medicinal Chemistry , 53 :5620 , 2010 |
| Abstract : Meng_2010_J.Med.Chem_53_5620 |
| ESTHER : Meng_2010_J.Med.Chem_53_5620 |
| PubMedSearch : Meng_2010_J.Med.Chem_53_5620 |
| PubMedID: 20684603 |
| Gene_locus related to this paper: human-DPP4 |