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
IUPHAR :
Wikipedia :
Target
Families : CHEMBL2159182 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 4G1F Crystal Structure of human Dipeptidyl Peptidase IV in complex with a pyridopyrimidinedione analogue
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 : Lam_2012_Bioorg.Med.Chem.Lett_22_6628 |
| ESTHER : Lam_2012_Bioorg.Med.Chem.Lett_22_6628 |
| 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 : Zhang_2011_J.Med.Chem_54_510 |
| ESTHER : Zhang_2011_J.Med.Chem_54_510 |
| PubMedSearch : Zhang_2011_J.Med.Chem_54_510 |
| PubMedID: 21186796 |
| Gene_locus related to this paper: human-DPP4 |