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
Classification
Compound class Natural product or derivative
Approved drug? Yes (FDA & EMA (2012))
International Nonproprietary Names
INN number INN
9006 ingenol mebutate
Synonyms
PEP-005 | Picato®
Comments
Ingenol mebutate is extracted from the plant Euphorbia peplus.
Database Links
CAS Registry No. 75567-37-2
ChEBI CHEBI:66913
ChEMBL Ligand CHEMBL1863513
DrugBank Ligand DB05013
GtoPdb PubChem SID 178104015
PubChem CID 6918670
Search Google for chemical match using the InChIKey VDJHFHXMUKFKET-WDUFCVPESA-N
Search Google for chemicals with the same backbone VDJHFHXMUKFKET
Search PubMed clinical trials ingenol mebutate
Search PubMed titles ingenol mebutate
Search PubMed titles/abstracts ingenol mebutate
Search UniChem for chemical match using the InChIKey VDJHFHXMUKFKET-WDUFCVPESA-N
Search UniChem for chemicals with the same backbone VDJHFHXMUKFKET
Wikipedia Ingenol mebutate

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Tocris
PEP 005
Cat. No. 4054