Compound Detail
CHEMBL88149
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Basic Information
| ChEMBL ID | CHEMBL88149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVBQIBMRQBVLMH-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
2.08
ALogP
7
HBA
1
HBD
103.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.15
Kd 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | Kd | 6.98 | 6.98 | 105.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095229 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 6.15 | 6.15 | 710.0 | 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 | = | 105.0 | nM | 6.98 | Inhibition of [3H]nitrendipine binding to L-type calcium channel in guinea pig v... | 2329573 |
| Oryctolagus cuniculus | IC50 | = | 710.0 | nM | 6.15 | Vasorelaxant potency in isolated potassium (K(+)-depolarized rabbit thoracic aor... | 2329573 |
| Voltage-gated L-type calcium channel | IC50 | = | 710.0 | nM | 6.15 | In vitro vasorelaxant activity (calcium channel blocking activity) was determine... | 2391701 |
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 |
| 2391701 | 10.1021/jm00171a044 | Voltage-gated L-type calcium channel | 1 |
Data from ChEMBL 36 via Core Engine