Compound Detail
CHEMBL1172787
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Basic Information
| ChEMBL ID | CHEMBL1172787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJGQMXPUNALQNB-ZWKOTPCHSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.5
MW (Da)
4.37
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.47 | 5.99 | 340.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 340.0 | nM | 6.47 | Negative inotropic activity against potassium-induced contraction in guinea pig ... | 20509610 |
| NON-PROTEIN TARGET | EC50 | = | 460.0 | nM | 6.34 | Antiarrhythmic activity in sinusoidal alternating current-induced guinea pig lef... | 20509610 |
| NON-PROTEIN TARGET | EC50 | = | 6890.0 | nM | 5.16 | Negative chronotropic activity against potassium-induced contraction in guinea p... | 20509610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20509610 | 10.1021/jm100298d | NON-PROTEIN TARGET | 12 |
| 20509610 | 10.1021/jm100298d | Molecular identity unknown | 10 |
| 20509610 | 10.1021/jm100298d | Heart | 5 |
| 20509610 | 10.1021/jm100298d | Aorta | 1 |
Data from ChEMBL 36 via Core Engine