Inhibitor Report for: Pa6
| Pa6 | Type | Phenanthridinium |
|---|
| Other_Name | CHEMBL4747937 |
| | BDBM50546264 |
| | 3,8-Diamino-5-(7-octynyl)-6-phenylphenanthridinium |
| Chemical_Nomenclature | 3,8-diamino-5-oct-7'-ynyl-6-phenylphenanthridinium triflate |
| | 5-oct-7-ynyl-6-phenylphenanthridin-5-ium-3,8-diamine |
| Formula | C27H30N3 |
| | C27H28N3+ |
| MW | 396.55 |
| | 394.5 |
|  |
| Paper | Bourne_2016_J.Am.Chem.Soc_138_1611 |
| | Bourne_2004_Proc.Natl.Acad.Sci.U.S.A_101_1449 |
| | Lewis_2002_Angew.Chem.Int.Ed.Engl_41_875 |
| | Lewis_2002_Angew.Chem.Int.Ed.Engl_41_1053 |
| Comment | AChE PAS inhibitor (phenylphenanthridinium) equipped with an acatylene group at the end of a flexible methylene chain used as building block of 1,3-dipolar cycloaddition (click chemistry) with an active site inhibitor (tacrine) equipped with an azide group at the end of a methylene chain. One double bond in CID 136901692 |
| Gene_locus | mouse-ACHE |
| CID | 136901692 |
| Family | ACHE |
| InChIKey | APLQLTZEFQXLCJ-UHFFFAOYSA-O |
| CanonicalSMILES | C#CCCCCCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N |
| InChI | InChI=1S/C27H27N3/c1-2-3-4-5-6-10-17-30-26-19-22(29)14-16-24(26)23-15-13-21(28)18-25(23)27(30)20-11-8-7-9-12-20/h1,7-9,11-16,18-19,29H,3-6,10,17,28H2/p+1 |
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