Compound Detail
CHEMBL1086725
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Basic Information
| ChEMBL ID | CHEMBL1086725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEQRHDQAWXNTKF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.42
ALogP
5
HBA
1
HBD
77.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.31 | 5.85 | 492.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 492.0 | nM | 6.31 | Inhibition of bovine heart sub-mitochondrial membrane SQR assessed as ubiquinol-... | 20137945 |
| Unchecked | IC50 | = | 4080.0 | nM | 5.39 | 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