Compound Detail
CHEMBL3944693
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Basic Information
| ChEMBL ID | CHEMBL3944693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUMMTMQODCACRH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
2.52
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 4.76 | 4.76 | 17400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 17400.0 | nM | 4.76 | Inhibition of human recombinant DHODH | 27994748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27994748 | 10.1021/acsmedchemlett.6b00316 | Molecular identity unknown | 1 |
| 27994748 | 10.1021/acsmedchemlett.6b00316 | U-937 | 1 |
| 27994748 | 10.1021/acsmedchemlett.6b00316 | THP-1 | 1 |
| 27994748 | 10.1021/acsmedchemlett.6b00316 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine