Compound Detail
CHEMBL58047
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Basic Information
| ChEMBL ID | CHEMBL58047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKORLKMHNGQVSH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.6
MW (Da)
4.76
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent calcium channel subunit alpha-2/delta-1 CHEMBL1919 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent calcium channel subunit alpha-2/delta-1 | IC50 | = | 160.0 | nM | 6.8 | Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel... | 15050626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15050626 | 10.1016/j.bmcl.2004.01.087 | Voltage-dependent calcium channel subunit alpha-2/delta-1 | 1 |
Data from ChEMBL 36 via Core Engine