Inhibitor Report for: BMS-744891
BMS-744891 | Type | Pyrrolidine |
| | Pyridine |
| Other_Name | 1WH |
| | 3-(Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyethyl)-2-Methyl-6,7-Dihydro-5h-Pyrrolo[3,4-B]pyridin-5-One |
| | SCHEMBL2702958 |
| | (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide |
| Chemical_Nomenclature | 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one |
| Formula | C18H19Cl2N3O2 |
| MW | 380.26 |
| |
| Paper | Devasthale_2013_J.Med.Chem_56_7343 |
| Structure | 4LKO |
| Comment | Clinical Candidate close to CHEMBL1910114 3SWW and similar to CHEMBL1910111 CHEMBL1909991 CHEMBL2441952 |
| Gene_locus | human-DPP4 |
| CID | 15950463 |
| Family | DPP4N_Peptidase_S9 |
| InChIKey | LKKWOSVPEMTNNP-UHFFFAOYSA-N |
| CanonicalSMILES | CC1=C(C(=C2C(=N1)CN(C2=O)CCOC)C3=C(C=C(C=C3)Cl)Cl)CN |
| InChI | InChI=1S/C18H19Cl2N3O2/c1-10-13(8-21)16(12-4-3-11(19)7-14(12)20)17-15(22-10)9-23(18(17)24)5-6-25-2/h3-4,7H,5-6,8-9,21H2,1-2H3 |
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