MK-0812

Ligand id: 9048

Name: MK-0812

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 63.69
Molecular weight 469.26
XLogP 3.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
Synonyms
MK0812
Database Links
CAS Registry No. 624733-88-6 (source: PubChem)
ChEMBL Ligand CHEMBL3305901
PubChem CID 11180808
Search Google for chemical match using the InChIKey MTMDXAIUENDNDL-RJSMDTJLSA-N
Search Google for chemicals with the same backbone MTMDXAIUENDNDL
Search UniChem for chemical match using the InChIKey MTMDXAIUENDNDL-RJSMDTJLSA-N
Search UniChem for chemicals with the same backbone MTMDXAIUENDNDL
Comments
MK-0812 is an antagonist of chemokine (C-C motif) receptor 2 (the CCR2 chemokine receptor) [1] being investigated for its anti-inflammatory action.