CHEMBL3895476
IC50 130 nM eqBChE; 147.62 microM eelAChE
General
Type : Carvacrol-Thymol, Carbamate, Organochlorine
Chemical_Nomenclature : (2-methyl-5-propan-2-ylphenyl) N-(4-chlorophenyl)carbamate
Canonical SMILES : CC1=C(C=C(C=C1)C(C)C)OC(=O)NC2=CC=C(C=C2)Cl
InChI : InChI=1S\/C17H18ClNO2\/c1-11(2)13-5-4-12(3)16(10-13)21-17(20)19-15-8-6-14(18)7-9-15\/h4-11H,1-3H3,(H,19,20)
InChIKey : GCPFOKOABJMKPO-UHFFFAOYSA-N
Other name(s) : BDBM50211413
MW : 303.8
Formula : C17H18ClNO2
CAS_number :
PubChem : 134136226
UniChem : GCPFOKOABJMKPO-UHFFFAOYSA-N
Target
Families : CHEMBL3895476 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 |