Triazolo-thiadiazole-Cpd4k
IC50 of 0.056 +/- 0.001 microM against BChE 0.159 0.014 AChE
General
Type : Triazol, Thiadiazol, Sulfur Compound
Chemical_Nomenclature : 3-(3-bromophenyl)-6-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Canonical SMILES : C1=CC(=CC=C1OCC4=N[N]2C(=NN=C2C3=CC=CC(=C3)Br)S4)OC
InChI : InChI=1S\/C17H13BrN4O2S\/c1-23-13-5-7-14(8-6-13)24-10-15-21-22-16(19-20-17(22)25-15)11-3-2-4-12(18)9-11\/h2-9H,10H2,1H3
InChIKey : DGUBOGGDMQGESR-UHFFFAOYSA-N
Other name(s) : BDBM50598090 || Compound 4k
MW : 417.3
Formula : C17H13BrN4O2S
CAS_number :
PubChem : 129903929
UniChem : DGUBOGGDMQGESR-UHFFFAOYSA-N
Target
Families : Triazolo-thiadiazole-Cpd4k ligand of proteins in family
BCHE
ACHE
Protein :
human-BCHE
human-ACHE
References (1)
| Title : Exploration of a library of triazolothiadiazole and triazolothiadiazine compounds as a highly potent and selective family of cholinesterase and monoamine oxidase inhibitors: design, synthesis, X-ray diffraction analysis and molecular docking studies - Khan_2015_RSC.Adv_5_21249 |
| Author(s) : Khan I , Bakht SM , Ibrar A , Abbas S , Hameed S , White JM , Rana UA , Zaib S , Shahid M , IqbalJ |
| Ref : RSC Adv , 5 :21249 , 2015 |
| Abstract : |
| PubMedSearch : Khan_2015_RSC.Adv_5_21249 |
| PubMedID: |