Compound Detail
CHEMBL3824345
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Basic Information
| ChEMBL ID | CHEMBL3824345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDYYBHYZUAIUNR-QINSGFPZSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
3.62
ALogP
4
HBA
0
HBD
61.6
PSA (Ų)
0.25
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas.
EC50 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | EC50 | 8.54 | 7.685 | 2.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 2.884 | nM | 8.54 | Potentiation of SNP-induced vasorelaxant activity in Sprague-Dawley rat endothel... | 27162124 |
| Aorta | EC50 | = | 147.91 | nM | 6.83 | Vasoprotective activity against oxidative stress-induced impairment of ACh-stimu... | 27162124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27162124 | 10.1016/j.ejmech.2016.04.067 | Aorta | 6 |
| 27162124 | 10.1016/j.ejmech.2016.04.067 | A549 | 4 |
| 27162124 | 10.1016/j.ejmech.2016.04.067 | No relevant target | 3 |
| 27162124 | 10.1016/j.ejmech.2016.04.067 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine