CHEMBL2298077
S3 competitive inhibition of AChE (IC50 = 12.88 +/- 5.30 nM; K = 7.55 +/- 2.60 nM) and BuChE (IC50 = 13.96 +/- 2.02 nM; K = 13.00 +/- 6.80 nM). inhibitory activity against human carbonic anhydrase hCA I (IC50 = 7.90 +/- 2.50 nM; K = 14.0 +/- 6.70 nM, non-competitive) and hCA II (IC50 = 23.00 +/- 9.74 nM; K = 10.20 +/- 3.20 nM, competitive)
General
Type : Pyridine, Multitarget, Carbonic anhydrase inhibitor
Chemical_Nomenclature : 4-(pyridin-3-ylmethyliminomethyl)phenol
Canonical SMILES : C1=CC(=CN=C1)CN=CC2=CC=C(C=C2)O
InChI : InChI=1S\/C13H12N2O\/c16-13-5-3-11(4-6-13)8-15-10-12-2-1-7-14-9-12\/h1-9,16H,10H2
InChIKey : RPJDUMWATYTIOM-UHFFFAOYSA-N
Other name(s) : 4-[(pyridine-3-ylmethylimino)-methyl] phenol || Compound S3
MW : 212.25
Formula : C13H12N2O
CAS_number :
PubChem : 136241588
UniChem : RPJDUMWATYTIOM-UHFFFAOYSA-N
Target
Families : CHEMBL2298077 ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (1)
| Title : Schiff Base Derivatives as Carbonic Anhydrases and Cholinesterases Inhibitors: Molecular Docking and Anticancer Studies - Koksal_2026_J.Biochem.Mol.Toxicol_40_e70850 |
| Author(s) : Koksal Z , Guller P , Sagir F , Unlu S , Elmali FT |
| Ref : J Biochem Mol Toxicol , 40 :e70850 , 2026 |
| Abstract : |
| PubMedSearch : Koksal_2026_J.Biochem.Mol.Toxicol_40_e70850 |
| PubMedID: 42008748 |