Compound Detail
CHEMBL4545837
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Basic Information
| ChEMBL ID | CHEMBL4545837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKDRJRQHOAOUFQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
4.99
ALogP
4
HBA
1
HBD
66.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoid X receptor CHEMBL2363070 | EC50 | 7.74 | 7.74 | 18.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoid X receptor | EC50 | = | 18.2 | nM | 7.74 | Agonist activity at human RXR binding domain and activation domain expressed in ... | 27592633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27592633 | 10.1021/acs.jmedchem.6b00812 | Retinoid X receptor | 5 |
| 27592633 | 10.1021/acs.jmedchem.6b00812 | Retinoic acid receptor RXR-alpha | 3 |
| 27592633 | 10.1021/acs.jmedchem.6b00812 | Unchecked | 2 |
| 27592633 | 10.1021/acs.jmedchem.6b00812 | Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha | 2 |
| 27592633 | 10.1021/acs.jmedchem.6b00812 | HuT78 | 2 |
| 27592633 | 10.1021/acs.jmedchem.6b00812 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine