MK-0873   

GtoPdb Ligand ID: 9853

Synonyms: compound 20 [PMID: 18835163] | MK0873
Compound class: Synthetic organic
Comment: MK-0873 is an optimized investigational PDE4 inhibitor with favourable in vitro and in vivo profiles that support clinical development [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 90.41
Molecular weight 422.14
XLogP 5.74
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES [O-][n+]1cccc(c1)C#Cc1cccc(c1)n1cc(C(=O)NC2CC2)c(=O)c2c1nccc2
Isomeric SMILES [O-][n+]1cccc(c1)C#Cc1cccc(c1)n1cc(C(=O)NC2CC2)c(=O)c2c1nccc2
InChI InChI=1S/C25H18N4O3/c30-23-21-7-2-12-26-24(21)29(16-22(23)25(31)27-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-3-13-28(32)15-18/h1-7,12-16,19H,10-11H2,(H,27,31)
InChI Key JJWKQXNHYDJXKF-UHFFFAOYSA-N
No information available.
Summary of Clinical Use
MK-0873 has completed Phase 2 clinical evaluation in rheumatoid arthritis (NCT00132769), and Phase 1 as a topical agent for plaque psoriasis (NCT01235728). A Phase 2 trial in patients with chronic obstructive pulmonary disease (COPD) was terminated (NCT00132730).
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT00132730 An Investigational Drug Study In Patients With COPD (Chronic Obstructive Pulmonary Disease) (MK-0873-005) Phase 2 Interventional Merck Sharp & Dohme Corp.
NCT00132769 A Study of a Novel Investigational Drug in Rheumatoid Arthritis Patients (MK-0873-012)(COMPLETED) Phase 2 Interventional Merck Sharp & Dohme Corp.
NCT01235728 A Study to Evaluate and Compare the Efficacy and Pharmacokinetics of MK-0873 for the Treatment of Plaque Psoriasis (MK-0873-022) Phase 1 Interventional Merck Sharp & Dohme Corp.