Compound Detail
CHEMBL194955
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O=C(O)C1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC(F)(F)F)c3)c(F)c2F)CSC1
Basic Information
| ChEMBL ID | CHEMBL194955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCGVADUBWSUANX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.4
MW (Da)
4.88
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 4.0 | nM | 8.4 | Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogen... | 16143532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16143532 | 10.1016/j.bmcl.2005.07.053 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine