Compound Detail
CHEMBL2165402
INGENOL 🧪 Phase III
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🧪 Phase III
CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL2165402 |
| Name | INGENOL |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | VEBVPUXQAPLADL-POYOOMFHSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
18
Publications
1
Known Names
1
Indications
Molecular Properties
348.4
MW (Da)
0.82
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Keratosis, Actinic
Activity Summary
EC50 6 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Keratinocyte CHEMBL613995 | EC50 | 5.0 | 5.0 | 10000.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.52 | 4.52 | 30100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keratinocyte | EC50 | = | 10000.0 | nM | 5.0 | Induction of IL-8 release in human primary epidermal keratinocytes after 6 hrs b... | 23993332 |
| Keratinocyte | EC50 | = | 10000.0 | nM | 5.0 | Induction of TNFalpha release in human primary epidermal keratinocytes after 6 h... | 23993332 |
| Unchecked | EC50 | = | 10000.0 | nM | 5.0 | Induction of oxidative burst in polymorphonuclear leukocytes (unknown origin) is... | 23993332 |
| NON-PROTEIN TARGET | EC50 | = | 30100.0 | nM | 4.52 | Antiviral activity against chikungunya virus Indian ocean strain 899 infected in... | 25970561 |
Literature References
Data from ChEMBL 36 via Core Engine