Compound Detail
CHEMBL1778780
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Basic Information
| ChEMBL ID | CHEMBL1778780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXVXVAPJICBEFD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
245.7
MW (Da)
2.11
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.71 | 6.71 | 195.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 195.0 | nM | 6.71 | Displacement of [3H]gabapentin from voltage gated calcium channel alpha2delta fr... | 21550803 |
| Unchecked | IC50 | = | 195.0 | nM | 6.71 | Displacement of [3H]Gabapentin from alpha2delta calcium channel in pig brain tis... | 21601457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21550803 | 10.1016/j.bmcl.2011.04.056 | Unchecked | 1 |
| 21601457 | 10.1016/j.bmcl.2011.04.045 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine