Compound Detail
CHEMBL492668
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Basic Information
| ChEMBL ID | CHEMBL492668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTYBNDTVHWXPPT-UHFFFAOYSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
1.84
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.46
IC50 1 meas. best 4.7
Ki 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 6.35 | 6.35 | 450.0 | 1 |
| Ileum CHEMBL613680 | IC50 | 4.7 | 4.7 | 20200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 350.0 | nM | 6.46 | Negative inotropic activity in guinea pig left atrium assessed as decrease in at... | 18754582 |
| Voltage-gated L-type calcium channel | Ki | = | 450.0 | nM | 6.35 | Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat ... | 18754582 |
| Ileum | IC50 | = | 20200.0 | nM | 4.7 | 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 | 3 |
| 18754582 | 10.1021/jm800151n | Ileum | 2 |
| 18754582 | 10.1021/jm800151n | Voltage-gated L-type calcium channel | 1 |
| 18754582 | 10.1021/jm800151n | Aorta | 1 |
Data from ChEMBL 36 via Core Engine