Compound Detail
CHEMBL1778873
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1778873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGXWYIRDNFXECH-XVKPBYJWSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
259.7
MW (Da)
1.67
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 108.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 1.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 26.0 | nM | 7.58 | 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 | Rattus norvegicus | 2 |
| 21550803 | 10.1016/j.bmcl.2011.04.056 | Unchecked | 1 |
| 21550803 | 10.1016/j.bmcl.2011.04.056 | No relevant target | 1 |
| 21550803 | 10.1016/j.bmcl.2011.04.056 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine