CHEMBL3112960-Cpd20d
IC50 DPP IV 0.004 microM. Specific IC50DPP8/9 >30 microM. Optimized compound from syn-7aa CHEMBL3112961
General
Type : Pyridine, Organochlorine
Chemical_Nomenclature : 2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
Canonical SMILES : C1CC(CCC1N2C(=O)C=CC(=N2)C3=CN=CC=C3)(CN)C4=CC(=CC=C4)Cl
InChI : InChI=1S\/C22H23ClN4O\/c23-18-5-1-4-17(13-18)22(15-24)10-8-19(9-11-22)27-21(28)7-6-20(26-27)16-3-2-12-25-14-16\/h1-7,12-14,19H,8-11,15,24H2
InChIKey : GZYLYULZPDSRRD-UHFFFAOYSA-N
Other name(s) : CHEMBL3112960 || SCHEMBL8179799 || BDBM50447699 || Compound 20d
MW : 394.9
Formula : C22H23ClN4O
CAS_number :
PubChem : 70295607
UniChem : GZYLYULZPDSRRD-UHFFFAOYSA-N
Target
Families : CHEMBL3112960-Cpd20d ligand of proteins in family
DPP4N_Peptidase_S9
Protein :
human-DPP4
References (1)
| Title : Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV - Namoto_2014_Bioorg.Med.Chem.Lett_24_731 |
| Author(s) : Namoto K , Sirockin F , Ostermann N , Gessier F , Flohr S , Sedrani R , Gerhartz B , Trappe J , Hassiepen U , Duttaroy A , Ferreira S , Sutton JM , Clark DE , Fenton G , Beswick M , Baeschlin DK |
| Ref : Bioorganic & Medicinal Chemistry Lett , 24 :731 , 2014 |
| Abstract : |
| PubMedSearch : Namoto_2014_Bioorg.Med.Chem.Lett_24_731 |
| PubMedID: 24439847 |
| Gene_locus related to this paper: human-DPP4 |