Inhibitor Report for: CHEMBL1951424
CHEMBL1951424 | Type | Piperidine |
| | Cyanide |
| | Quinoline |
| | Pyrrolidine |
| Other_Name | SCHEMBL4225060 |
| | BDBM50364164 |
| | 6-[(3s)-3-Aminopiperidin-1-Yl]-5-Benzyl-4-Oxo-3-(Quinolin-4-Ylmethyl)-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidine-7-Carbonitrile |
| | N7F |
| Chemical_Nomenclature | 6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile |
| Formula | C29H27N7O |
| MW | 489.58 |
| |
| Paper | Sutton_2012_Bioorg.Med.Chem.Lett_22_1464 |
| Structure | 4A5S |
| Comment | IC50: 17 nM |
| Gene_locus | human-DPP4 |
| CID | 23633348 |
| Family | DPP4N_Peptidase_S9 |
| InChIKey | WRJSBPQWADEDBH-QFIPXVFZSA-N |
| CanonicalSMILES | C1CC(CN(C1)C2=C(C3=C(N2CC4=CC=CC=C4)C(=O)N(C=N3)CC5=CC=NC6=CC=CC=C56)C#N)N |
| InChI | InChI=1S/C29H27N7O/c30-15-24-26-27(29(37)35(19-33-26)17-21-12-13-32-25-11-5-4-10-23(21)25)36(16-20-7-2-1-3-8-20)28(24)34-14-6-9-22(31)18-34/h1-5,7-8,10-13,19,22H,6,9,14,16-18,31H2/t22-/m0/s1 |
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