Compound Detail
CHEMBL2381472
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Basic Information
| ChEMBL ID | CHEMBL2381472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZLHSSLKQXOTJB-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
498.4
MW (Da)
5.01
ALogP
9
HBA
1
HBD
81.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.34
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.34 | 6.505 | 46.0 | 2 |
| Ileum CHEMBL613680 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 46.0 | nM | 7.34 | Negative inotropic activity in guinea pig left atrium assessed as decrease in de... | 23586669 |
| Ileum | IC50 | = | 180.0 | nM | 6.75 | Relaxant activity in potassium depolarized guinea pig ileum longitudinal smooth ... | 23586669 |
| NON-PROTEIN TARGET | EC50 | = | 2160.0 | nM | 5.67 | Negative chronotropic activity in guinea pig right atrium assessed as decrease i... | 23586669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23586669 | 10.1021/jm301839q | NON-PROTEIN TARGET | 4 |
| 23586669 | 10.1021/jm301839q | Ileum | 2 |
| 23586669 | 10.1021/jm301839q | Aorta | 1 |
| 23586669 | 10.1021/jm301839q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine