Compound Detail
CHEMBL1084928
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Basic Information
| ChEMBL ID | CHEMBL1084928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLLCMCCHDIWDPC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.76
ALogP
4
HBA
2
HBD
82.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant human DHODH by using blue indicator dye DCIP | 20153645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20153645 | 10.1016/j.bmcl.2010.01.115 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine