Compound Detail
CHEMBL3265172
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C[C@]12CC[C@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
Basic Information
| ChEMBL ID | CHEMBL3265172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMHWMOGWFZWDMR-IXZWCRGXSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
536.7
MW (Da)
1.43
ALogP
9
HBA
5
HBD
145.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.14
IC50 1 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 8.14 | 8.14 | 7.3 | 1 |
| Sodium/potassium-transporting ATPase CHEMBL2095186 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | EC50 | = | 7.3 | nM | 8.14 | Antiviral activity against Human cytomegalovirus Towne infected in HFF assessed ... | 24900847 |
| Sodium/potassium-transporting ATPase | IC50 | = | 87.0 | nM | 7.06 | Inhibition of hog kidney Na+, K+-dependent ATPase | 3020248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900847 | 10.1021/ml400529q | HFF | 2 |
| 3020248 | 10.1021/jm00160a025 | Sodium/potassium-transporting ATPase | 1 |
| 24900847 | 10.1021/ml400529q | Human betaherpesvirus 5 | 1 |
| 24900847 | 10.1021/ml400529q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine