Compound Detail
CHEMBL1081091
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Basic Information
| ChEMBL ID | CHEMBL1081091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONZRBEUEVWXZTG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
3.87
ALogP
6
HBA
2
HBD
88.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.1 | 7.86 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of bovine heart sub-mitochondrial membrane SQR assessed as ubiquinol-... | 20137945 |
| Unchecked | IC50 | = | 24.0 | nM | 7.62 | Inhibition of Septoria nodorum sub-mitochondrial membrane SQR assessed as ubiqui... | 20137945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137945 | 10.1016/j.bmcl.2010.01.066 | Unchecked | 2 |
| 20137945 | 10.1016/j.bmcl.2010.01.066 | Parastagonospora nodorum | 2 |
Data from ChEMBL 36 via Core Engine