Compound Detail
CHEMBL226084
CYCLOARTENONE Enter ChEMBL ID:
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CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL226084 |
| Name | CYCLOARTENONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAJCQAAOHKVCES-ZZOQNIIDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.7
MW (Da)
8.38
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human gammaherpesvirus 4 CHEMBL613124 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human gammaherpesvirus 4 | IC50 | = | 8.8 | nM | 8.06 | Inhibition of TPA-induced Epstein-Barr virus early antigen activation in Raji ce... | 17503850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17503850 | 10.1021/np068044u | Human gammaherpesvirus 4 | 5 |
| 17503850 | 10.1021/np068044u | Raji | 1 |
| 17503850 | 10.1021/np068044u | Unchecked | 1 |
| 28783356 | 10.1021/acs.jnatprod.7b00375 | PANC-1 | 1 |
Data from ChEMBL 36 via Core Engine