Compound Detail
CHEMBL594447
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Basic Information
| ChEMBL ID | CHEMBL594447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXSBZOVCVUSLIO-NRPADANISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
183.2
MW (Da)
1.23
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent calcium channel alpha2delta subunit CHEMBL3985 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent calcium channel alpha2delta subunit | IC50 | = | 19.0 | nM | 7.72 | Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral ... | 20005103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20005103 | 10.1016/j.bmcl.2009.11.118 | Unchecked | 1 |
| 20005103 | 10.1016/j.bmcl.2009.11.118 | Rattus norvegicus | 1 |
| 20005103 | 10.1016/j.bmcl.2009.11.118 | Voltage-dependent calcium channel alpha2delta subunit | 1 |
Data from ChEMBL 36 via Core Engine