Compound Detail
CHEMBL357929
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Basic Information
| ChEMBL ID | CHEMBL357929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXHJYBODBXBBCL-ZPSAWSNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
3.63
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADH-ubiquinone oxidoreductase chain 4 CHEMBL4499 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADH-ubiquinone oxidoreductase chain 4 | IC50 | = | 80.0 | nM | 7.1 | The compound was evaluated for the inhibition of NADH dehydrogenase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81204-X | NADH-ubiquinone oxidoreductase chain 4 | 1 |
| - | 10.1016/S0960-894X(01)81204-X | ADMET | 1 |
Data from ChEMBL 36 via Core Engine