Compound Detail
CHEMBL215713
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Basic Information
| ChEMBL ID | CHEMBL215713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPCASVCAZYPZOI-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.1
MW (Da)
3.74
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.44
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 7.44 | 6.22 | 36.0 | 3 |
| Cavia porcellus CHEMBL369 | IC50 | 4.47 | 4.47 | 33660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 36.0 | nM | 7.44 | Negative inotropic activity in guinea pig left ventricular papillary muscle | 16913709 |
| Cavia porcellus | EC50 | = | 920.0 | nM | 6.04 | Negative inotropic activity in guinea pig left atrium | 16913709 |
| Cavia porcellus | EC50 | = | 6650.0 | nM | 5.18 | Antagonist activity against calcium channel assessed as inhibition of calcium-in... | 16913709 |
| Cavia porcellus | IC50 | = | 33660.0 | nM | 4.47 | Antagonist activity against calcium channel assessed as inhibition of carbachol-... | 16913709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16913709 | 10.1021/jm0604373 | Cavia porcellus | 13 |
| 16913709 | 10.1021/jm0604373 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
Data from ChEMBL 36 via Core Engine