General
Preferred name
INGENOL MEBUTATE
Synonyms
ingenol-mebutate ()
Ingenol 3-angelate ()
PEP005 ()
AGN 204332 ()
PEP-005 ()
Picato ()
Ingenol-3-angelate ()
P&D ID
PD009340
CAS
849146-39-0
75567-37-2
Tags
natural product
drug
available
Approved by
FDA
First approval
2012
2010
Drug indication
Actinic keratosis
Melanoma
Drug Status
approved
withdrawn
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Ingenol mebutate is extracted from the plant Euphorbia peplus. (GtoPdb)
Cell lines
0
Organisms
2
Compound Sets
17
Cayman Chemical Bioactives
16207
ChEMBL Approved Drugs
CHEMBL1863513
ChEMBL Drugs
CHEMBL1863513
Concise Guide to Pharmacology 2017/18
7443
Concise Guide to Pharmacology 2021/22
7443
Concise Guide to Pharmacology 2023/24
7443
Drug Repurposing Hub
DrugCentral
4226
DrugCentral Approved Drugs
4226
DrugMAP
DMK1CZJ
DrugMAP Approved Drugs
DMK1CZJ
EU-OPENSCREEN Bioactive Compound Library
EOS101147
Guide to Pharmacology
7443
JUMP-Target 1 Compound Set
6918670
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1863513
MedChem Express Bioactive Compound Library
HY-B0719
Withdrawn 2.0
DB05013
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
430.24
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
0
cLogP
2.33
TPSA
104.06
Fraction CSP3
0.68
Chiral centers
8.0
Largest ring
7.0
QED
0.36
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Indication
actinic keratosis (AK)
Target
PRKCA, PRKCB, PRKCD, PRKCE, PRKCG
PRKCE
PKC
MOA
PKC activator
ATC
D06BX02
Toxicity type
NULL
Pathway
Epigenetics
TGF-beta/Smad
Source data