Compound Detail
CHEMBL491663
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 | CHEMBL491663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXRAYLUFYVJHQO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
2.73
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.01
IC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.01 | 6.01 | 970.0 | 1 |
| Ileum CHEMBL613680 | IC50 | 4.74 | 4.74 | 18400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 970.0 | nM | 6.01 | Negative inotropic activity in guinea pig left atrium assessed as decrease in at... | 18754582 |
| Ileum | IC50 | = | 18400.0 | nM | 4.74 | Vasorelaxant activity in K+-depolarized guinea pig ileum longitudinal smooth mus... | 18754582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18754582 | 10.1021/jm800151n | NON-PROTEIN TARGET | 4 |
| 18754582 | 10.1021/jm800151n | Ileum | 2 |
| 18754582 | 10.1021/jm800151n | Aorta | 1 |
Data from ChEMBL 36 via Core Engine