CHEMBL3897305
IC50 70 nM eqBChE; 77.81 microM eelAChE
General
Type : Carvacrol-Thymol, Carbamate
Chemical_Nomenclature : (2-methyl-5-propan-2-ylphenyl) N-benzylcarbamate
Canonical SMILES : CC1=C(C=C(C=C1)C(C)C)OC(=O)NCC2=CC=CC=C2
InChI : InChI=1S\/C18H21NO2\/c1-13(2)16-10-9-14(3)17(11-16)21-18(20)19-12-15-7-5-4-6-8-15\/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKey : CPMMNSMBFUQAAW-UHFFFAOYSA-N
Other name(s) : BDBM50211402
MW : 283.4
Formula : C18H21NO2
CAS_number :
PubChem : 134133683
UniChem : CPMMNSMBFUQAAW-UHFFFAOYSA-N
Target
Families : CHEMBL3897305 ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Synthesis, anticholinesterase activity and molecular modeling study of novel carbamate-substituted thymol\/carvacrol derivatives - Zengin Kurt_2017_Bioorg.Med.Chem_25_1352 |
| Author(s) : Zengin Kurt B , Gazioglu I , Dag A , Salmas RE , Kayik G , Durdagi S , Sonmez F |
| Ref : Bioorganic & Medicinal Chemistry , 25 :1352 , 2017 |
| Abstract : |
| PubMedSearch : Zengin Kurt_2017_Bioorg.Med.Chem_25_1352 |
| PubMedID: 28089589 |