ingenol mebutate

Ligand id: 7443

Name: ingenol mebutate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 104.06
Molecular weight 430.24
XLogP 3.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Challacombe JM, Suhrbier A, Parsons PG, Jones B, Hampson P, Kavanagh D, Rainger GE, Morris M, Lord JM, Le TT et al.. (2006)
Neutrophils are a key component of the antitumor efficacy of topical chemotherapy with ingenol-3-angelate.
J. Immunol., 177 (11): 8123-32. [PMID:17114487]
2. Kedei N, Lundberg DJ, Toth A, Welburn P, Garfield SH, Blumberg PM. (2004)
Characterization of the interaction of ingenol 3-angelate with protein kinase C.
Cancer Res., 64 (9): 3243-55. [PMID:15126366]
3. Lebwohl M, Swanson N, Anderson LL, Melgaard A, Xu Z, Berman B. (2012)
Ingenol mebutate gel for actinic keratosis.
N. Engl. J. Med., 366 (11): 1010-9. [PMID:22417254]
4. Siller G, Gebauer K, Welburn P, Katsamas J, Ogbourne SM. (2009)
PEP005 (ingenol mebutate) gel, a novel agent for the treatment of actinic keratosis: results of a randomized, double-blind, vehicle-controlled, multicentre, phase IIa study.
Australas. J. Dermatol., 50 (1): 16-22. [PMID:19178487]