Compound Detail
CHEMBL70544
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Basic Information
| ChEMBL ID | CHEMBL70544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQNVFTIIHYGBRF-ZHACJKMWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
3.37
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 800.0 | nM | 6.1 | Immunosuppressive activity expressed as ability to inhibit human recombinant dih... | 9873513 |
| Mus musculus | IC50 | = | 11000.0 | nM | 4.96 | Compound was tested in vitro for immunosuppressive activity which was measured i... | 9873513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873513 | 10.1016/s0960-894x(98)00365-5 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 9873513 | 10.1016/s0960-894x(98)00365-5 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine