Compound Detail
CHEMBL13254
ORG-24447 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL13254 |
| Name | ORG-24447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKRFHHRXDUACIN-OAHLLOKOSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
2.29
ALogP
7
HBA
0
HBD
66.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.53
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 4.53 | 4.53 | 29300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 | EC50 | = | 10000.0 | nM | 5.0 | GABA-modulatory action compound was evaluated on Oocytes expressing recombinant ... | 11606122 |
| GABA-A receptor; anion channel | IC50 | = | 29300.0 | nM | 4.53 | Inhibition of [35S]TBPS binding to GABA-A receptor rat whole brain membranes | 12781176 |
| GABA-A receptor; anion channel | IC50 | = | 29300.0 | nM | 4.53 | In vitro inhibition of [35S]TBPS binding to GABA-A receptor of rat whole brain m... | 12643922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11606122 | 10.1021/jm010903i | Mus musculus | 1 |
| 11606122 | 10.1021/jm010903i | GABA-A receptor; anion channel | 1 |
| 11606122 | 10.1021/jm010903i | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
| 12781176 | 10.1016/s0960-894x(03)00346-9 | Mus musculus | 1 |
| 12781176 | 10.1016/s0960-894x(03)00346-9 | GABA-A receptor; anion channel | 1 |
| 12643922 | 10.1016/s0960-894x(03)00025-8 | Mus musculus | 1 |
| 12643922 | 10.1016/s0960-894x(03)00025-8 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine