Compound Detail
CHEMBL225817
CYCLOBRANOL Enter ChEMBL ID:
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CC(C)=C(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL225817 |
| Name | CYCLOBRANOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIBNJPPYSPYHDB-UEBIAWITSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
440.8
MW (Da)
8.56
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.6
IC50 1 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human gammaherpesvirus 4 CHEMBL613124 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.6 | 4.3 | 25000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human gammaherpesvirus 4 | IC50 | = | 9.4 | nM | 8.03 | Inhibition of TPA-induced Epstein-Barr virus early antigen activation in Raji ce... | 17503850 |
| Unchecked | Ki | = | 25000.0 | nM | 4.6 | Inhibition of soybean sterol C24-methyltransferase 1 | 18590960 |
| Unchecked | Ki | = | 100000.0 | nM | 4.0 | Inhibition of sunflower sterol C24-methyltransferase 1 | 18590960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17503850 | 10.1021/np068044u | Human gammaherpesvirus 4 | 5 |
| 18590960 | 10.1016/j.bmcl.2008.06.044 | Unchecked | 5 |
| 17503850 | 10.1021/np068044u | Raji | 1 |
| 17503850 | 10.1021/np068044u | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine