Compound Detail
CHEMBL3085490
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Basic Information
| ChEMBL ID | CHEMBL3085490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQOMDNMTNVQXRR-SVWWHTAMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.7
MW (Da)
3.49
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7.04 | nM | 8.15 | Inhibitory activity against Hog kidney Na+, K+ -Dependent ATPase | 6321733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6321733 | 10.1021/jm00369a004 | Unchecked | 1 |
| 3981544 | 10.1021/jm00382a023 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine