Compound Detail
CHEMBL383856
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
C=C1C(=O)O[C@@H](C[C@@H](C)[C@H]2CC[C@H]3/C(=C/C=C4/C[C@@H](O)C[C@H](O)C4=C)CCC[C@]23C)[C@@H]1CCCC
Basic Information
| ChEMBL ID | CHEMBL383856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVBKXEIUPSWVOH-RUXZBFKTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.7
MW (Da)
6.44
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vitamin D3 receptor CHEMBL1977 | IC50 | 8.09 | 8.09 | 8.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vitamin D3 receptor | IC50 | = | 8.2 | nM | 8.09 | Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell di... | 17125259 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17125259 | 10.1021/jm060797q | Vitamin D3 receptor | 3 |
Data from ChEMBL 36 via Core Engine