Compound Detail
CHEMBL439080
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Basic Information
| ChEMBL ID | CHEMBL439080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAQDOUDNROECDO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.47
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | EC50 | 4.13 | 4.13 | 74131.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 74131.02 | nM | 4.13 | Vascular activity in KPSS precontracted Sprague-Dawley rat thoracic aorta assess... | 18307286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18307286 | 10.1021/jm070352h | Aorta | 5 |
| 23771043 | 10.1016/j.ejmech.2013.04.064 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine