Compound Detail
CHEMBL3322827
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3322827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAQRNBAAWKQELP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
2.84
ALogP
6
HBA
3
HBD
109.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 2400.0 | nM | 5.62 | 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