MK-8931

Ligand id: 8399

Name: MK-8931

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 99.82
Molecular weight 338.12
XLogP 2.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(6S)-2-amino-3,6-dimethyl-6-[4-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one
Synonyms
compound 13 [PMID: 23412139] | MK 8931 | MK8931
Database Links
CAS Registry No. 1613380-81-6
ChEMBL Ligand CHEMBL2151141
PubChem CID 23627211
Search Google for chemical match using the InChIKey IKFZEHQGULJMKI-SFHVURJKSA-N
Search Google for chemicals with the same backbone IKFZEHQGULJMKI
Search UniChem for chemical match using the InChIKey IKFZEHQGULJMKI-SFHVURJKSA-N
Search UniChem for chemicals with the same backbone IKFZEHQGULJMKI
Comments
MK-8931 is an investigational small molecule inhibitor of beta-site APP-cleaving enzyme 1 (BACE1, β-secretase) [2] (n.b. this is cpd 13 in the reference, not cpd 16 declared as the lead in this article).