Compound Detail
CHEMBL258019
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Basic Information
| ChEMBL ID | CHEMBL258019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHNKRFQIDUFFNJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
195.3
MW (Da)
0.65
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
| Voltage-dependent calcium channel alpha2delta subunit CHEMBL3985 | IC50 | 6.97 | 6.97 | 108.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Displacement of [3H]gabapentin from alpha2-delta calcium channel in pig brain | 17489571 |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Displacement of [3H]gabapentin from alpha2-delta subunit of voltage gated calciu... | 19010672 |
| Voltage-dependent calcium channel alpha2delta subunit | IC50 | = | 108.0 | nM | 6.97 | Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain me... | 15946842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15946842 | 10.1016/j.bmcl.2005.05.016 | Voltage-dependent calcium channel subunit alpha-2/delta-1 | 2 |
| 19010672 | 10.1016/j.bmcl.2008.10.101 | Unchecked | 2 |
| 15946842 | 10.1016/j.bmcl.2005.05.016 | Voltage-dependent calcium channel alpha2delta subunit | 1 |
| 17489571 | 10.1021/jm060650z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine