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Inhibitor Report for: TPPU-6-Chlorotacrine-12c

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


General
Type Multitarget, Derivative of Tacrine, Trifluoro, Piperidine, Urea derivative
Chemical_Nomenclature 1-[1-[5-[(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentanoyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
Canonical SMILES 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)
InChIKey LCWAVZISUIFMQY-UHFFFAOYSA-N
Other name(s) 12c ; SCHEMBL22470478
________________________________________________________________________________________________
MW|618.1
Formula|C31H35ClF3N5O3
CAS_number|
PubChem|155146568
UniChem|LCWAVZISUIFMQY-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | TPPU-6-Chlorotacrine-12c ligand of proteins in family: Epoxide_hydrolase, ACHE
Protein | human-EPHX2, human-ACHE

References:
Search PubMed for references concerning: TPPU-6-Chlorotacrine-12c
    Title: Discovery and In Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer's Disease
    Codony S, Pont C, Grinan-Ferre C, Di Pede-Mattatelli A, Calvo-Tusell C, Feixas F, Osuna S, Jarne-Ferrer J, Naldi M and Munoz-Torrero D <11 more author(s)>
    Ref: Journal of Medicinal Chemistry, :, 2022 : PubMed