AKOS002054853
IC50 0.065 +/- 0.005 microM against AChE
General
Type : Triazol, Thiadiazol, Sulfur Compound
Chemical_Nomenclature : 3-(3-bromophenyl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Canonical SMILES : C1C(=NN2C(=NN=C2S1)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)Cl
InChI : InChI=1S\/C16H10BrClN4S\/c17-12-3-1-2-11(8-12)15-19-20-16-22(15)21-14(9-23-16)10-4-6-13(18)7-5-10\/h1-8H,9H2
InChIKey : PYLLUMXJMRDQDC-UHFFFAOYSA-N
Other name(s) : ChemDiv1_022339 || HMS650H09 || STL284162 || EU-0006249 || Compound 5j
MW : 405.7
Formula : C16H10BrClN4S
CAS_number :
PubChem : 4111407
UniChem : PYLLUMXJMRDQDC-UHFFFAOYSA-N
Target
Families : AKOS002054853 ligand of proteins in family
ACHE
Protein :
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: |