Compound Detail
CHEMBL5557077
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Basic Information
| ChEMBL ID | CHEMBL5557077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IITJFTJGIMHKSJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
5.14
ALogP
4
HBA
1
HBD
66.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 | IC50 | = | 58000.0 | nM | 4.24 | Inverse agonist activity at Gal4-fused human full length Nurr1 LBD transfected i... | 39081058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39081058 | 10.1021/acs.jmedchem.4c01218 | Nuclear receptor subfamily 4 group A member 2 | 2 |
| 39081058 | 10.1021/acs.jmedchem.4c01218 | Retinoic acid receptor RXR-alpha | 1 |
| 39081058 | 10.1021/acs.jmedchem.4c01218 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine