Compound Detail
CHEMBL1795348
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Basic Information
| ChEMBL ID | CHEMBL1795348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJNSFLRIXLBNRJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1851667 |
| Active Moiety | CHEMBL1851667 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
3.47
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 | IC50 | = | 11.0 | nM | 7.96 | Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expr... | 21664131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21664131 | 10.1016/j.bmcl.2011.05.067 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 21664131 | 10.1016/j.bmcl.2011.05.067 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine