Compound Detail
CHEMBL119801
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Basic Information
| ChEMBL ID | CHEMBL119801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPLXUOZCXJADAG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
223.2
MW (Da)
2.21
ALogP
4
HBA
2
HBD
88.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 5.22 | 5.08 | 6000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 3200.0 | nM | 5.5 | In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH) | 9719606 |
| Mus musculus | IC50 | = | 6000.0 | nM | 5.22 | In vitro inhibitory activity against mouse mixed lymphocyte reaction (MLR) | 9719606 |
| Mus musculus | IC50 | = | 11600.0 | nM | 4.94 | In vitro inhibitory activity against murine antibody response to T-cell independ... | 9719606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9719606 | 10.1021/jm981028c | Mus musculus | 2 |
| 9719606 | 10.1021/jm981028c | Jurkat | 1 |
| 9719606 | 10.1021/jm981028c | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine