Compound Detail
CHEMBL1778764
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Basic Information
| ChEMBL ID | CHEMBL1778764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUANXJIOUGKVRZ-UWVGGRQHSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
241.7
MW (Da)
1.53
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 41.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 100.0 | % | Rattus norvegicus |
| T1/2 | 0.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Displacement of [3H]gabapentin from Voltage-dependent calcium channel subunit al... | 21550802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21550802 | 10.1016/j.bmcl.2011.04.058 | Rattus norvegicus | 3 |
| 21550802 | 10.1016/j.bmcl.2011.04.058 | No relevant target | 2 |
| 21550802 | 10.1016/j.bmcl.2011.04.058 | Plasma | 2 |
| 21550802 | 10.1016/j.bmcl.2011.04.058 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine