CHEMBL3338952
IC50 3.09 +/- 0.154 microM against acetylcholinesterase, IC50 of 0.585 +/- 0.154 microM against butyrylcholinesterase
General
Type : Triazol, Thiadiazol, Pyridine, Sulfur Compound
Chemical_Nomenclature : 4-[(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenol
Canonical SMILES : C1=CC(=CN=C1)C2=NN=C3N2N=C(S3)COC4=CC=C(C=C4)O
InChI : InChI=1S\/C15H11N5O2S\/c21-11-3-5-12(6-4-11)22-9-13-19-20-14(17-18-15(20)23-13)10-2-1-7-16-8-10\/h1-8,21H,9H2
InChIKey : ZNQQHGUTMOMFOU-UHFFFAOYSA-N
Other name(s) : BDBM50028572 || Compound 5B
MW : 325.3
Formula : C15H11N5O2S
CAS_number :
PubChem : 101879984
UniChem : ZNQQHGUTMOMFOU-UHFFFAOYSA-N
Target
Families : CHEMBL3338952 ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Active compounds from a diverse library of triazolothiadiazole and triazolothiadiazine scaffolds: Synthesis, crystal structure determination, cytotoxicity, cholinesterase inhibitory activity, and binding mode analysis - Khan_2014_Bioorg.Med.Chem_22_6163 |
| Author(s) : Khan I , Ibrar A , Zaib S , Ahmad S , Furtmann N , Hameed S , Simpson J , Bajorath J , Iqbal J |
| Ref : Bioorganic & Medicinal Chemistry , 22 :6163 , 2014 |
| Abstract : |
| PubMedSearch : Khan_2014_Bioorg.Med.Chem_22_6163 |
| PubMedID: 25257911 |