MK-0893

Ligand id: 9135

Name: MK-0893

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 93.45
Molecular weight 587.14
XLogP 7.4
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
Synonyms
compound 9m [PMID: 22708876] | MK 0893 | MK-0893-005 | MK0893 | N-[(4-{(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl]ethyl}phenyl)carbonyl]-β-alanine
Database Links
CAS Registry No. 870823-12-4 (source: PubChem)
ChEMBL Ligand CHEMBL1933349
PubChem CID 11570626
RCSB PDB Ligand 5MV
Search Google for chemical match using the InChIKey DNTVJEMGHBIUMW-IBGZPJMESA-N
Search Google for chemicals with the same backbone DNTVJEMGHBIUMW
Search UniChem for chemical match using the InChIKey DNTVJEMGHBIUMW-IBGZPJMESA-N
Search UniChem for chemicals with the same backbone DNTVJEMGHBIUMW
Comments
MK-0893 is reported as a potent, reversible and competitive antagonist of the glucagon receptor, with anti-type II diabetes potential [2]. X-ray crystallography shows that MK-0893 in fact binds to an allosteric site outside the seven transmembrane bundle [1].