CDP840   Click here for help

GtoPdb Ligand ID: 9330

Synonyms: CDP 840 | CDP-840
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: CPD840 is a potent, competitive, orally active, and selective inhibitor of all four PDE4 isoenzymes [3]. It was developed primarily for potential anti-inflammatory effects in asthma and chronic obstructive pulmonary disease (COPD) [2]. The compound is now available for repurposing via the MRC-Industry Asset Sharing Initiative 2016 (full compound list).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 31.35
Molecular weight 373.2
XLogP 5.43
No. Lipinski's rules broken 1
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Canonical SMILES COc1ccc(cc1OC1CCCC1)C(c1ccccc1)Cc1ccncc1
Isomeric SMILES COc1ccc(cc1OC1CCCC1)[C@@H](c1ccccc1)Cc1ccncc1
InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
1. Harbinson PL, MacLeod D, Hawksworth R, O'Toole S, Sullivan PJ, Heath P, Kilfeather S, Page CP, Costello J, Holgate ST, Lee TH. (1997)
The effect of a novel orally active selective PDE4 isoenzyme inhibitor (CDP840) on allergen-induced responses in asthmatic subjects.
Eur Respir J, 10 (5): 1008-14. [PMID:9163639]
2. Kodimuthali A, Jabaris SS, Pal M. (2008)
Recent advances on phosphodiesterase 4 inhibitors for the treatment of asthma and chronic obstructive pulmonary disease.
J Med Chem, 51 (18): 5471-89. [PMID:18686943]
3. Perry MJ, O'Connell J, Walker C, Crabbe T, Baldock D, Russell A, Lumb S, Huang Z, Howat D, Allen R et al.. (1998)
CDP840: a novel inhibitor of PDE-4.
Cell Biochem Biophys, 29: 113-32. [PMID:9631241]