Compound Detail
CHEMBL500046
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Basic Information
| ChEMBL ID | CHEMBL500046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTDDFURFCLJRDB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.9
MW (Da)
4.53
ALogP
4
HBA
0
HBD
44.1
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 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 64.0 | nM | 7.19 | Inhibition of mitochondrial complex 1 in bovine heart mitochondria assessed as e... | 18422306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18422306 | 10.1021/jm701443n | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine