Compound Detail
CHEMBL116946
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Basic Information
| ChEMBL ID | CHEMBL116946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPOJIYZGBCOBTO-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
255.2
MW (Da)
3.79
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 4.84 | 4.785 | 14600.0 | 2 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 4.65 | 4.65 | 22500.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 14600.0 | nM | 4.84 | In vitro inhibitory activity against murine antibody response to T-cell independ... | 9719606 |
| Mus musculus | IC50 | = | 18700.0 | nM | 4.73 | In vitro inhibitory activity against mouse mixed lymphocyte reaction (MLR) | 9719606 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 22500.0 | nM | 4.65 | In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH) | 9719606 |
| Jurkat | IC50 | = | 43000.0 | nM | 4.37 | In vitro inhibitory activity against Jurkat cell proliferation | 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