Compound Detail
CHEMBL5181901
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Basic Information
| ChEMBL ID | CHEMBL5181901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QENHFEQJXCAGCJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
4.46
ALogP
6
HBA
2
HBD
79.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of human N-terminal GST-fusion tagged DHODH (31 to 395 residues) expr... | 36162075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36162075 | 10.1021/acs.jmedchem.2c00496 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 36162075 | 10.1021/acs.jmedchem.2c00496 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine