CHEMBL2159182

General

Type : Pyrimidine

Chemical_Nomenclature : 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

Canonical SMILES : CN1C2=NC(=C(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3Br)CN)N

InChI : InChI=1S\/C16H16BrN5O2\/c1-21-14-12(15(23)22(2)16(21)24)11(9(7-18)13(19)20-14)8-5-3-4-6-10(8)17\/h3-6H,7,18H2,1-2H3,(H2,19,20)

InChIKey : JGBNONXELAWFNR-UHFFFAOYSA-N

Other name(s) : SCHEMBL272318  ||  BDBM50394237  ||  0WG  ||  7-Amino-6-(Aminomethyl)-5-(2-Bromophenyl)-1,3-Dimethylpyrido[2,3-D]pyrimidine-2,4(1h,3h)-Dione


MW : 390.23

Formula : C16H16BrN5O2

CAS_number :

PubChem : 11632502

UniChem : JGBNONXELAWFNR-UHFFFAOYSA-N

Target

Families : CHEMBL2159182 ligand of proteins in family
DPP4N_Peptidase_S9

Structure :
4G1F

Protein :
human-DPP4

References (2)

Title : Structure-based design of pyridopyrimidinediones as dipeptidyl peptidase IV inhibitors - Lam_2012_Bioorg.Med.Chem.Lett_22_6628
Author(s) : Lam B , Zhang Z , Stafford JA , Skene RJ , Shi L , Gwaltney SL, 2nd
Ref : Bioorganic & Medicinal Chemistry Lett , 22 :6628 , 2012
Abstract :
PubMedSearch : Lam_2012_Bioorg.Med.Chem.Lett_22_6628
PubMedID: 23025999
Gene_locus related to this paper: human-DPP4

Title : Design and synthesis of pyrimidinone and pyrimidinedione inhibitors of dipeptidyl peptidase IV - Zhang_2011_J.Med.Chem_54_510
Author(s) : Zhang Z , Wallace MB , Feng J , Stafford JA , Skene RJ , Shi L , Lee B , Aertgeerts K , Jennings A , Xu R , Kassel DB , Kaldor SW , Navre M , Webb DR , Gwaltney SL
Ref : Journal of Medicinal Chemistry , 54 :510 , 2011
Abstract :
PubMedSearch : Zhang_2011_J.Med.Chem_54_510
PubMedID: 21186796
Gene_locus related to this paper: human-DPP4