Compound Detail
CHEMBL5394449
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Basic Information
| ChEMBL ID | CHEMBL5394449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLJAAWPTYZNPTG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
5.18
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.60
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.68
IC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 6.42 | 6.42 | 380.0 | 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 | EC50 | = | 210.0 | nM | 6.68 | Agonist activity at human Nurr1-LBD transfected in HEK293T cells co-transfected ... | 37127285 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 380.0 | nM | 6.42 | Inhibition of human recombinant DHODH by colorimetric assay | 37127285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37127285 | 10.1021/acs.jmedchem.3c00415 | Nuclear receptor subfamily 4 group A member 2 | 2 |
| 37127285 | 10.1021/acs.jmedchem.3c00415 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 37127285 | 10.1021/acs.jmedchem.3c00415 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine