Compound Detail
CHEMBL3357822
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Basic Information
| ChEMBL ID | CHEMBL3357822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDBQKGZMAKFKHB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.8
MW (Da)
3.12
ALogP
5
HBA
0
HBD
53.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | EC50 | 4.4 | 4.4 | 39810.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | EC50 | = | 39810.72 | nM | 4.4 | Vasodilative activity in isolated Sprague-Dawley rat mesenteric arterial ring as... | 25466182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25466182 | 10.1016/j.bmcl.2014.10.092 | Molecular identity unknown | 2 |
Data from ChEMBL 36 via Core Engine