Inhibitor Report for: 6QAC-HUT
| 6QAC-HUT | Type | Derivative of Tryptophan |
|---|
| | Indole |
| Other_Name | HUT |
| Chemical_Nomenclature | (2S)-2-(butylamino)-N-(3-cycloheptylpropyl)-3-(1H-indol-3-yl)propanamide |
| Formula | C25H39N3O |
| MW | 397.6 |
|  |
| Paper | Meden_2019_Chem.Commun.(Camb)_55_3765 |
| Structure | 6QAC |
| Comment | IC50 6.2 nM for human BChE Residual activity of 58% for human AChE. Compound 8 of the paper Meden et al. derived from Tryptophan |
| Gene_locus | human-BCHE |
| CID | 138753258 |
| Family | BCHE |
| InChIKey | UWVIHWQBZNJHCM-DEOSSOPVSA-N |
| CanonicalSMILES | CCCCNC(CC1=CNC2=CC=CC=C21)C(=O)NCCCC3CCCCCC3 |
| InChI | InChI=1S/C25H39N3O/c1-2-3-16-26-24(18-21-19-28-23-15-9-8-14-22(21)23)25(29)27-17-10-13-20-11-6-4-5-7-12-20/h8-9,14-15,19-20,24,26,28H,2-7,10-13,16-18H2,1H3,(H,27,29)/t24-/m0/s1 |
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