Compound Detail
CHEMBL1929432
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Basic Information
| ChEMBL ID | CHEMBL1929432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNXTWHVWHFMXPB-KHPPLWFESA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
364.3
MW (Da)
2.60
ALogP
6
HBA
2
HBD
116.5
PSA (Ų)
0.27
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 8.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human dihydroorotate dehydrogenase | 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 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine