Compound Detail
CHEMBL3144609
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Basic Information
| ChEMBL ID | CHEMBL3144609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MALXTNRWBUWHHG-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
2.88
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.92
IC50 1 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 9.92 | 8.75 | 0.1 | 2 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 0.12 | nM | 9.92 | Binding affinity against Diazepam sensitive (DS) Gamma-aminobutyric acid A recep... | 7752192 |
| GABA-A receptor; anion channel | IC50 | = | 0.58 | nM | 9.24 | Specific binding of [3H]Ro-151788 to GABA-A Benzodiazepine receptor in rat corte... | 8388472 |
| GABA-A receptor; anion channel | Ki | = | 26.0 | nM | 7.58 | Binding affinity against Diazepam insensitive (DI) Gamma-aminobutyric acid A rec... | 7752192 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752192 | 10.1021/jm00010a013 | GABA-A receptor; anion channel | 2 |
| 8388472 | 10.1021/jm00063a017 | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine