Compound Detail
CHEMBL1494735
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
Basic Information
| ChEMBL ID | CHEMBL1494735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKIZHBKUIJEGEO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
2.05
ALogP
5
HBA
1
HBD
76.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vitamin D3 receptor CHEMBL1977 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 4.86 | 4.86 | 13898.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vitamin D3 receptor | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of LG190178-induced VDR-LBD interaction to Alexa Fluor 647-labeled SR... | 22563729 |
| G-protein coupled receptor 55 | IC50 | = | 13898.89 | nM | 4.86 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22563729 | 10.1021/jm300460c | Vitamin D3 receptor | 3 |
| 22563729 | 10.1021/jm300460c | HEK-293T | 1 |
| 22563729 | 10.1021/jm300460c | ADMET | 1 |
| 22563729 | 10.1021/jm300460c | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine