Inhibitor Report for: TPPU-6-Chlorotacrine-12c
TPPU-6-Chlorotacrine-12c | Type (6) |
| Other_Name | 12c |
| | SCHEMBL22470478 |
| Chemical_Nomenclature | 1-[1-[5-[(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentanoyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea |
| Formula | C31H35ClF3N5O3 |
| MW | 618.1 |
| |
| Paper | Codony_2022_J.Med.Chem_65_4909 |
| Comment | 12c human hsEH IC50 (nM) 4.6 human AChE IC50 (nM) 12.9+/- 1.6 human BChE IC50 (nM) 179+/-90 Mouse msEH IC50 (nM) 22.5 Mouse mAChE IC50 (nM) 4.12+/-0.23 |
| Gene_locus | human-EPHX2 |
| | human-ACHE |
| CID | 155146568 |
| Family | Epoxide_hydrolase |
| | ACHE |
| InChIKey | LCWAVZISUIFMQY-UHFFFAOYSA-N |
| CanonicalSMILES | C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCCCC(=O)N4CCC(CC4)NC(=O)NC5=CC=C(C=C5)OC(F)(F)F |
| InChI | InChI=1S/C31H35ClF3N5O3/c32-20-8-13-25-27(19-20)39-26-6-2-1-5-24(26)29(25)36-16-4-3-7-28(41)40-17-14-22(15-18-40)38-30(42)37-21-9-11-23(12-10-21)43-31(33,34)35/h8-13,19,22H,1-7,14-18H2,(H,36,39)(H2,37,38,42) |
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