Compound Detail
CHEMBL298951
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Basic Information
| ChEMBL ID | CHEMBL298951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCAFIHRSMRKZLG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
4.87
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.05
IC50 1 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| GABA A receptor alpha-1/beta-1/gamma-2 CHEMBL2111392 | EC50 | 5.05 | 4.69 | 9000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 850.0 | nM | 6.07 | Inhibition of [35S]TBPS binding to GABA-A receptor in rat cerebral cortex. | 9599235 |
| GABA A receptor alpha-1/beta-1/gamma-2 | EC50 | = | 9000.0 | nM | 5.05 | Modulation of GABA-induced chloride currents in Xenopus laevis oocytes expressin... | 9599235 |
| GABA A receptor alpha-1/beta-1/gamma-2 | EC50 | = | 47000.0 | nM | 4.33 | Direct activation of chloride current in Xenopus laevis oocytes expressing human... | 9599235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9599235 | 10.1021/jm970681h | GABA A receptor alpha-1/beta-1/gamma-2 | 4 |
| 9599235 | 10.1021/jm970681h | GABA-A receptor; anion channel | 1 |
| 9599235 | 10.1021/jm970681h | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine