Compound Detail
CHEMBL225922
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C[C@H](CC[C@@H](O)C(C)(C)O)[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 | CHEMBL225922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKRIPHYESIGPJC-LEDYUWLESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
460.7
MW (Da)
6.33
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human gammaherpesvirus 4 CHEMBL613124 | IC50 | 8.14 | 8.14 | 7.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human gammaherpesvirus 4 | IC50 | = | 7.3 | nM | 8.14 | 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 |
| 31557016 | 10.1021/acs.jnatprod.9b00616 | Bacillus subtilis | 1 |
| 31557016 | 10.1021/acs.jnatprod.9b00616 | Staphylococcus aureus | 1 |
| 31557016 | 10.1021/acs.jnatprod.9b00616 | Escherichia coli | 1 |
| 31557016 | 10.1021/acs.jnatprod.9b00616 | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine