Compound Detail
CHEMBL1097514
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Basic Information
| ChEMBL ID | CHEMBL1097514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEOFZTUZGINXEN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
3.81
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.66 | 6.44 | 218.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 218.9 | nM | 6.66 | Inhibition of NADH oxidase from beef heart submitochondrial particles by spectro... | 20456960 |
| Unchecked | IC50 | = | 595.0 | nM | 6.22 | Inhibition of NADH-ubiquinone oxidoreductase from beef heart submitochondrial pa... | 20456960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20456960 | 10.1016/j.bmc.2010.03.070 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine