MK-0429

Ligand id: 9689

Name: MK-0429

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 107.89
Molecular weight 439.22
XLogP 1.81
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S)-3-(6-methoxypyridin-3-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
Synonyms
compound 6 [PMID:14561098] [1] | MK-429 | MK0429
Comments
MK-0429 is an orally active, non-peptide inhibitor/antagonist of αv integrins [1-2,4]. It was initially identified as a clinical lead with potential utility for the prevention and treatment of osteoporosis [1], but has since shown activity in other biological settings. MK-0429 binds to the αv's Arg-Gly-Asp (RGD)-motif binding domain (the RGD-motif is a conserved sequence in proteins that bind to αv integrins), thereby preventing interaction with RGD-containing binding partners such as osteopontin, bone sialoprotein, vitronectin, and fibrinogen.
Database Links
BindingDB Ligand 50134778
ChEMBL Ligand CHEMBL145085
GtoPdb PubChem SID 348353648
PubChem CID 9853559
Search Google for chemical match using the InChIKey HGFOOLONGOBCMP-IBGZPJMESA-N
Search Google for chemicals with the same backbone HGFOOLONGOBCMP
Search UniChem for chemical match using the InChIKey HGFOOLONGOBCMP-IBGZPJMESA-N
Search UniChem for chemicals with the same backbone HGFOOLONGOBCMP