Compound Detail
CHEMBL467212
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C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL467212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEQPVMGAXBNZAH-MOOYDNKRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
506.8
MW (Da)
6.90
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.36
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vitamin D3 receptor CHEMBL1977 | EC50 | 10.7 | 10.7 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vitamin D3 receptor | EC50 | = | 0.02 | nM | 10.7 | Agonist activity at VDR assessed as receptor transactivation by transient transc... | 18710208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18710208 | 10.1021/jm8004477 | Vitamin D3 receptor | 3 |
Data from ChEMBL 36 via Core Engine