Compound Detail
CHEMBL494640
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 | CHEMBL494640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYPNMDHKSIYKPA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
4.90
ALogP
4
HBA
0
HBD
34.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 21.0 | nM | 7.68 | 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