Compound Detail
CHEMBL3322816
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Basic Information
| ChEMBL ID | CHEMBL3322816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQFUQMQOSKJOGQ-ALCCZGGFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
2.45
ALogP
5
HBA
3
HBD
112.7
PSA (Ų)
0.25
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 1700.0 | nM | 5.77 | Vasorelaxant activity in bovine coronary artery assessed as reduction of U46619-... | 25119815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25119815 | 10.1021/jm500262m | NON-PROTEIN TARGET | 2 |
| 25119815 | 10.1021/jm500262m | Bifunctional epoxide hydrolase 2 | 1 |
Data from ChEMBL 36 via Core Engine