Compound Detail
CHEMBL1778793
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Basic Information
| ChEMBL ID | CHEMBL1778793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBUXPVYGPIRJDO-ALKRTJFJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
0.62
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.57 | 6.57 | 269.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 269.0 | nM | 6.57 | Displacement of [3H]gabapentin from voltage gated calcium channel alpha2delta fr... | 21550803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21550803 | 10.1016/j.bmcl.2011.04.056 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine