Compound Detail
CHEMBL5397040
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Basic Information
| ChEMBL ID | CHEMBL5397040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCICHLBTRTUUKQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
2.29
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 9000.0 | nM | 5.05 | Inverse agonist activity at human Nur77 LBD transiently transfected in HEK293T c... | 37918435 |
| Nuclear receptor subfamily 4 group A member 2 | IC50 | = | 37000.0 | nM | 4.43 | Inverse agonist activity at human Nurr1 LBD transiently transfected in HEK293T c... | 37918435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37918435 | 10.1021/acs.jmedchem.3c01467 | Nuclear receptor subfamily 4immunitygroup A member 1 | 2 |
| 37918435 | 10.1021/acs.jmedchem.3c01467 | Nuclear receptor subfamily 4 group A member 2 | 2 |
| 37918435 | 10.1021/acs.jmedchem.3c01467 | Nuclear receptor subfamily 4 group A member 3 | 1 |
Data from ChEMBL 36 via Core Engine