Compound Detail
CHEMBL1834893
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@@H](CO)CCO)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL1834893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKNLNQKPISQAEP-SQHAQQRYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
5.32
ALogP
5
HBA
3
HBD
79.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vitamin D3 receptor CHEMBL1977 | EC50 | 10.22 | 10.22 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vitamin D3 receptor | EC50 | = | 0.06 | nM | 10.22 | Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pC... | 21889334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21889334 | 10.1016/j.bmcl.2011.08.047 | Vitamin D3 receptor | 1 |
Data from ChEMBL 36 via Core Engine