Ligand id: 9048

Name: MK-0812

Structure and Physico-chemical Properties

2D Structure
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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 2.5
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Immunopharmacology Disease
Disease X-Refs Comment References
Rheumatoid arthritis Disease Ontology: DOID:7148
OMIM: 180300
Phase 2 trial NCT00542022 in RA was completed- no further progress recorded.
Relapsing-remitting multiple sclerosis Disease Ontology: DOID:2378
Phase 2 trial NCT00239655 in RRMS was terminated.