Compound Detail
CHEMBL2407821
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C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)[C@H](CCn2ncnn2)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2407821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFHRQILUGOUOIV-YVUZACRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
512.7
MW (Da)
5.01
ALogP
7
HBA
3
HBD
104.3
PSA (Ų)
0.43
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vitamin D3 receptor CHEMBL1977 | EC50 | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vitamin D3 receptor | EC50 | = | 0.01 | nM | 11.0 | Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after... | 24900728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900728 | 10.1021/ml400098w | Rattus norvegicus | 4 |
| 24900728 | 10.1021/ml400098w | Vitamin D3 receptor | 2 |
Data from ChEMBL 36 via Core Engine