Compound Detail
CHEMBL5560531
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Basic Information
| ChEMBL ID | CHEMBL5560531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSHIQVRQDHPZGJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
3.64
ALogP
3
HBA
0
HBD
46.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.4333 | hr | Rattus norvegicus |
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 | = | 13000.0 | nM | 4.89 | 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 | ADMET | 3 |
| 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