Compound Detail
CHEMBL2070872
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Basic Information
| ChEMBL ID | CHEMBL2070872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGMLMTFVAKEION-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
360.9
MW (Da)
6.64
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vitamin D3 receptor CHEMBL1977 | IC50 | 5.09 | 4.92 | 8200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vitamin D3 receptor | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of CMV-VDR expressed in human HEK293T cells assessed as inhibition of... | 22563729 |
| Vitamin D3 receptor | IC50 | = | 17700.0 | nM | 4.75 | Inhibition of LG190178-induced VDR-LBD interaction to Alexa Fluor 647-labeled SR... | 22563729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22563729 | 10.1021/jm300460c | Vitamin D3 receptor | 3 |
| 22563729 | 10.1021/jm300460c | No relevant target | 2 |
| 22563729 | 10.1021/jm300460c | HEK-293T | 1 |
| 22563729 | 10.1021/jm300460c | ADMET | 1 |
Data from ChEMBL 36 via Core Engine