Compound Detail
CHEMBL3392285
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Basic Information
| ChEMBL ID | CHEMBL3392285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKWBTRNGUFFCKG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.91
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.44
Kd 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | Kd | 7.46 | 7.46 | 35.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C | Kd | = | 35.0 | nM | 7.46 | Inhibition of [3H]nitrendipine binding to L-type calcium channel in guinea pig v... | 2329573 |
| Oryctolagus cuniculus | IC50 | = | 36.0 | nM | 7.44 | Vasorelaxant potency in isolated potassium (K(+)-depolarized rabbit thoracic aor... | 2329573 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2329573 | 10.1021/jm00167a035 | Oryctolagus cuniculus | 1 |
| 2329573 | 10.1021/jm00167a035 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
Data from ChEMBL 36 via Core Engine