Inhibitor Report for: TAK-147
TAK-147 | Type | Piperidine |
| | Derivative of Donepezil |
| | Transition state analogue |
| | Benzazepin |
| Other_Name (8) |
| Chemical_Nomenclature | 3-(1-benzylpiperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one |
| Formula | C29H36N2O5 |
| | C25H32N2O |
| CAS_number | 263248-42-6 |
| | 142852-50-4 |
| MW | 492.607 |
| |
| Paper (8) |
| Comment | Transition state analogue |
| CID | 5282215 |
| | 198752 |
| Family | ACHE |
| InChIKey | CWEHWZPCDBRUNO-WLHGVMLRSA-N |
| | PMBLXLOXUGVTGB-UHFFFAOYSA-N |
| CanonicalSMILES | C1CCNC2=C(C1)C=CC(=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4.C(=CC(=O)O)C(=O)O |
| | C1CCNC2=C(C1)C=CC(=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4 |
| InChI | nChI=1S/C25H32N2O.C4H4O4/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21;5-3(6)1-2-4(7)8/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| | InChI=1S/C25H32N2O/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2 |
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