Compound Detail
CHEMBL2177493
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Basic Information
| ChEMBL ID | CHEMBL2177493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMXDKNRWGSYRIQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.1
MW (Da)
4.26
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 4.79 | 4.79 | 16080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 16080.0 | nM | 4.79 | Inhibition of human DHODH expressed in Escherichia coli BL21(DE3) using L-dihydr... | 22984987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22984987 | 10.1021/jm300630p | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 22984987 | 10.1021/jm300630p | Dihydroorotate dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine