Compound Detail
CHEMBL23497
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Basic Information
| ChEMBL ID | CHEMBL23497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUOHNSBKYJHAMQ-GFCCVEGCSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
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 4 meas. best 5.92
IC50 3 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 5.92 | 5.35 | 1200.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.66 | 5.66 | 2200.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Acetylcholine receptor CHEMBL2096975 | IC50 | 4.64 | 4.64 | 23000.0 | 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 | EC50 | = | 1200.0 | nM | 5.92 | Ability to enhance currents from alpha-1-beta-2-gamma-2L-subunit of GABA recepto... | 12646036 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | EC50 | = | 2000.0 | nM | 5.7 | Enhancement of currents elicited by GABA at EC5 (6-12 uM) | 12646036 |
| Unchecked | EC50 | = | 2200.0 | nM | 5.66 | Anesthetic potency, Concentration for loss of righting reflexes (LORR) in Xenopu... | 12646036 |
| GABA-A receptor; anion channel | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of [35S]TBPS binding to rat brain membranes | 12646036 |
| Acetylcholine receptor | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of currents when compound wascoapplied with acetylcholine to recombin... | 12646036 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | EC50 | = | 37000.0 | nM | 4.43 | Direct activation of Gamma-aminobutyric acid A receptor in the absence of GABA | 12646036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12646036 | 10.1021/jm020465v | GABA-A receptor; alpha-1/beta-2/gamma-2 | 8 |
| 12646036 | 10.1021/jm020465v | GABA-A receptor; anion channel | 2 |
| 12646036 | 10.1021/jm020465v | Unchecked | 1 |
| 12646036 | 10.1021/jm020465v | Acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine