apremilast

Ligand id: 7372

Name: apremilast

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 127.46
Molecular weight 460.13
XLogP 2.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Gudjonsson JE, Johnston A, Ellis CN. (2012)
Novel systemic drugs under investigation for the treatment of psoriasis.
J. Am. Acad. Dermatol.67 (1): 139-47. [PMID:22305044]
2. Man HW, Schafer P, Wong LM, Patterson RT, Corral LG, Raymon H, Blease K, Leisten J, Shirley MA, Tang Y et al.. (2009)
Discovery of (S)-N-[2-[1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl] acetamide (apremilast), a potent and orally active phosphodiesterase 4 and tumor necrosis factor-alpha inhibitor.
J. Med. Chem.52 (6): 1522-4. [PMID:19256507]
3. Schafer PH, Day RM. (2013)
Novel systemic drugs for psoriasis: mechanism of action for apremilast, a specific inhibitor of PDE4.
J. Am. Acad. Dermatol.68 (6): 1041-2. [PMID:23680197]
4. Schafer PH, Parton A, Capone L, Cedzik D, Brady H, Evans JF, Man HW, Muller GW, Stirling DI, Chopra R. (2014)
Apremilast is a selective PDE4 inhibitor with regulatory effects on innate immunity.
Cell. Signal.26 (9): 2016-29. [PMID:24882690]