Compound Detail
CHEMBL5408637
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Basic Information
| ChEMBL ID | CHEMBL5408637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYHABFKYZXQMIB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
460.8
MW (Da)
6.33
ALogP
6
HBA
0
HBD
48.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 3 CHEMBL5503 | EC50 | 8.52 | 7.23 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 3 | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at human recombinant GST-tagged CAR LBD incubated for 1 to 4 hr... | 36756805 |
| Nuclear receptor subfamily 1 group I member 3 | EC50 | = | 1160.0 | nM | 5.94 | Agonist activity at human CAR LBD in human HepG2 cells incubated for 24 hrs by f... | 36756805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36756805 | 10.1021/acs.jmedchem.2c01140 | Nuclear receptor subfamily 1 group I member 3 | 2 |
| 36756805 | 10.1021/acs.jmedchem.2c01140 | Nuclear receptor subfamily 1 group I member 2 | 1 |
| 36756805 | 10.1021/acs.jmedchem.2c01140 | COS-1 | 1 |
| 36756805 | 10.1021/acs.jmedchem.2c01140 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine