Compound Detail
CHEMBL1097832
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Basic Information
| ChEMBL ID | CHEMBL1097832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DINLRXWSKZJPQC-HXUWFJFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
322.5
MW (Da)
5.00
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.29 | 7.065 | 50.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 50.8 | nM | 7.29 | Inhibition of NADH oxidase from beef heart submitochondrial particles by spectro... | 20456960 |
| Unchecked | IC50 | = | 145.4 | nM | 6.84 | 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