Inhibitor Report for: CHEMBL3687984
| CHEMBL3687984 | Type | Cyanide |
|---|
| | Piperidine |
| | Purine |
| Other_Name | SCHEMBL14554320 |
| | 2-({2-[(3r)-3-Aminopiperidin-1-Yl]-5-Methyl-6,9-Dioxo-5,6,7,9-Tetrahydro-1h-Imidazo[1,2-A]purin-1-Yl}methyl)-4-Fluorobenzonitrile |
| | 6AJ |
| Chemical_Nomenclature | 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-7H-imidazo[1,2-a]purin-1-yl]methyl]-4-fluorobenzonitrile |
| Formula | C21H21FN8O2 |
| MW | 436.45 |
|  |
| Paper | Wu_2016_ACS.Med.Chem.Lett_7_498 |
| Structure | 5I7U |
| Gene_locus | human-DPP4 |
| CID | 71203748 |
| Family | DPP4N_Peptidase_S9 |
| InChIKey | KMOYVYIQCXEQDG-OAHLLOKOSA-N |
| CanonicalSMILES | CN1C(=O)CN2C1=NC3=C(C2=O)N(C(=N3)N4CCCC(C4)N)CC5=C(C=CC(=C5)F)C#N |
| InChI | InChI=1S/C21H21FN8O2/c1-27-16(31)11-30-19(32)17-18(25-20(27)30)26-21(28-6-2-3-15(24)10-28)29(17)9-13-7-14(22)5-4-12(13)8-23/h4-5,7,15H,2-3,6,9-11,24H2,1H3/t15-/m1/s1 |
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