Compound Detail
CHEMBL1651801
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1651801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNYMRADAWUNXBO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1741097 |
| Active Moiety | CHEMBL1741097 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
272.2
MW (Da)
1.62
ALogP
4
HBA
1
HBD
102.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL2383 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay | 21109332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21109332 | 10.1016/j.ejmech.2010.10.029 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 2 |
Data from ChEMBL 36 via Core Engine