Compound Detail
CHEMBL1778872
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Basic Information
| ChEMBL ID | CHEMBL1778872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWOQEWQGZKVROT-UWVGGRQHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
223.2
MW (Da)
0.59
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.03 | 7.03 | 94.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 94.0 | nM | 7.03 | 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