Benzylpyrrolidin-o-tolylcarbamate
hAChE IC50 >100 microM; hBChE IC50 0.1 +/- 0.04 microM
General
Type : Carbamate, Pyrrolidine
Chemical_Nomenclature : 1-benzylpyrrolidin-3-yl o-tolylcarbamate || (1-benzylpyrrolidin-3-yl) N-(2-methylphenyl)carbamate
Canonical SMILES : C1=CC(=C(C=C1)NC(OC2CN(CC2)CC3=CC=CC=C3)=O)C || CC1=CC=CC=C1NC(=O)OC2CCN(C2)CC3=CC=CC=C3 || Cc1ccccc1NC(=O)O[C@H]2CCN(C2)Cc3ccccc3
InChI : InChI=1S\/C19H22N2O2\/c1-15-7-5-6-10-18(15)20-19(22)23-17-11-12-21(14-17)13-16-8-3-2-4-9-16\/h2-10,17H,11-14H2,1H3,(H,20,22)\/t17-\/m0\/s1
InChIKey : ZJNMNITXBVWFFU-UHFFFAOYSA-N || ZJNMNITXBVWFFU-KRWDZBQOSA-N
Other name(s) : 1-Benzylpyrrolidin-3-yl o-Tolyl Carbamate || Compound 9 || A1J6C || 1-benzylpyrrolidin-3-yl o-tolylcarbamate || [1-(phenylmethyl)pyrrolidin-3-yl] ~{N}-(2-methylphenyl)carbamate
MW : 310.395
Formula : C19H22N2O2
CAS_number :
PubChem : 178845960
UniChem : ZJNMNITXBVWFFU-UHFFFAOYSA-N, ZJNMNITXBVWFFU-KRWDZBQOSA-N
Target
Families : Benzylpyrrolidin-o-tolylcarbamate ligand of proteins in family
BCHE
Structure :
30GX
Protein :
human-BCHE
References (1)
| Title : Structure-Guided Design of a Brain-Penetrant Covalent Inhibitor of Human Butyrylcholinesterase with In Vivo Procognitive Efficacy - Mastnak-Sokolov_2026_J.Med.Chem__ |
| Author(s) : Mastnak-Sokolov Mastnak-Sokolov P , Kosak U , Meden Ae , Knez D , Zakelj S , Horvat S , Pislar A , Kljun J , Igert A , Dias J , Nachon F , Brazzolotto X , Novak M , Rydlova V , Karasova JZ , Soukup O , Manik A , Detka J , Salat K , Gobec S |
| Ref : Journal of Medicinal Chemistry , : , 2026 |
| Abstract : |
| PubMedSearch : Mastnak-Sokolov_2026_J.Med.Chem__ |
| PubMedID: |