Compound Detail
CHEMBL1929449
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Basic Information
| ChEMBL ID | CHEMBL1929449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYNGYNCANVHFQN-MSUUIHNZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
3.55
ALogP
7
HBA
2
HBD
117.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 4.73 | 4.73 | 18500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 76.0 | nM | 7.12 | Inhibition of human dihydroorotate dehydrogenase | 22078215 |
| PBMC | IC50 | = | 18500.0 | nM | 4.73 | Antiproliferative activity against PHA-stimulated human PBMC assessed as inhibit... | 22078215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22078215 | 10.1016/j.bmcl.2011.10.052 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 22078215 | 10.1016/j.bmcl.2011.10.052 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine