Compound Detail
CHEMBL495513
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Basic Information
| ChEMBL ID | CHEMBL495513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMGUHLXIKNXKSO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
1.78
ALogP
6
HBA
0
HBD
94.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.96
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Liver microsomes CHEMBL613694 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 1100.0 | nM | 5.96 | Vasodilation activity in Wistar rat aorta assessed as relaxation of phenylephrin... | 19113954 |
| Liver microsomes | IC50 | = | 3400.0 | nM | 5.47 | Antioxidant activity against Fe2SO4/ascorbate-induced lipid peroxidation in Wist... | 19113954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19113954 | 10.1021/jm8007008 | No relevant target | 4 |
| 19113954 | 10.1021/jm8007008 | Liver microsomes | 1 |
| 19113954 | 10.1021/jm8007008 | ADMET | 1 |
| 19113954 | 10.1021/jm8007008 | Aorta | 1 |
Data from ChEMBL 36 via Core Engine