Compound Detail
CHEMBL99704
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Basic Information
| ChEMBL ID | CHEMBL99704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEZZRXCUUBOYRH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.2
MW (Da)
2.82
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 500.0 | nM | 6.3 | Tested for the inhibitory activity against rat kidney Na+, K+-ATPase | 11212092 |
| NON-PROTEIN TARGET | IC50 | = | 1000.0 | nM | 6.0 | Tested for antimyotoxic activity of the compound | 11212092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11212092 | 10.1016/s0960-894x(00)00621-1 | NON-PROTEIN TARGET | 1 |
| 11212092 | 10.1016/s0960-894x(00)00621-1 | Rattus norvegicus | 1 |
| 11212092 | 10.1016/s0960-894x(00)00621-1 | GABA-A receptor; anion channel | 1 |
| 11212092 | 10.1016/s0960-894x(00)00621-1 | Bothrops jararacussu | 1 |
Data from ChEMBL 36 via Core Engine