Compound Detail
CHEMBL22676
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Basic Information
| ChEMBL ID | CHEMBL22676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUOHNSBKYJHAMQ-LBPRGKRZSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.22
ALogP
6
HBA
0
HBD
68.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.85
IC50 1 meas. best 4.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | IC50 | 4.18 | 4.18 | 66260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 14000.0 | nM | 4.85 | Anesthetic potency, Concentration for loss of righting reflexes (LORR) in Xenopu... | 12646036 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | EC50 | = | 20000.0 | nM | 4.7 | Enhancement of currents elicited by GABA at EC5 (6-12 uM) | 12646036 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | IC50 | = | 66260.0 | nM | 4.18 | Inhibition of currents elicited by GABA at EC5 (6-12 uM) | 12646036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12646036 | 10.1021/jm020465v | GABA-A receptor; alpha-1/beta-2/gamma-2 | 5 |
| 12646036 | 10.1021/jm020465v | Unchecked | 1 |
| 12646036 | 10.1021/jm020465v | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine