Compound Detail
CHEMBL1528294
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Basic Information
| ChEMBL ID | CHEMBL1528294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMUDFPAGXJKHJO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
2.17
ALogP
5
HBA
0
HBD
80.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 5.81 | 5.81 | 1549.8 | 1 |
| Vitamin D3 receptor CHEMBL1977 | IC50 | 4.98 | 4.975 | 10500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 1549.82 | nM | 5.81 | PUBCHEM_BIOASSAY: Thrombin 1536 HTS Dose Response Confirmation. (Class of assay:... | - |
| Vitamin D3 receptor | IC50 | = | 10500.0 | nM | 4.98 | Inhibition of LG190178-induced VDR-LBD interaction to Alexa Fluor 647-labeled SR... | 22563729 |
| Vitamin D3 receptor | IC50 | = | 10600.0 | nM | 4.97 | Inhibition of VDR-LBD expressed in human HEK293T cells co-expressing GAL4-DBD as... | 22563729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22563729 | 10.1021/jm300460c | HEK-293T | 2 |
| 22563729 | 10.1021/jm300460c | Vitamin D3 receptor | 2 |
| 22563729 | 10.1021/jm300460c | ADMET | 1 |
| 22563729 | 10.1021/jm300460c | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine