Compound Detail
CHEMBL4743387
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Basic Information
| ChEMBL ID | CHEMBL4743387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNLUODHDGXUZKH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
5.37
ALogP
3
HBA
1
HBD
65.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 6.94 | 6.94 | 116.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 116.0 | nM | 6.94 | Inhibition of human DHODH | 33007394 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33007394 | 10.1016/j.bmcl.2020.127589 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 33007394 | 10.1016/j.bmcl.2020.127589 | MOLM-13 | 1 |
Data from ChEMBL 36 via Core Engine