Compound Detail
CHEMBL42464
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Basic Information
| ChEMBL ID | CHEMBL42464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHCZZTNIHDWRNS-VKHMYHEASA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
116.1
MW (Da)
-1.23
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 8.52 | 8.31 | 3.0 | 2 |
| Gamma-aminobutyric acid receptor subunit gamma-1 CHEMBL296 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 3.0 | nM | 8.52 | In vitro inhibition of [3H]THIP binding to Gamma-aminobutyric acid receptor in r... | 2999396 |
| Gamma-aminobutyric acid receptor subunit gamma-1 | IC50 | = | 4.0 | nM | 8.4 | In vitro inhibition of [3H]GABA binding to Gamma-aminobutyric acid receptor of r... | 2999396 |
| GABA-A receptor; anion channel | IC50 | = | 8.0 | nM | 8.1 | In vitro inhibition of [3H]P4S binding to Gamma-aminobutyric acid receptor of ra... | 2999396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2999396 | 10.1021/jm00149a012 | GABA-A receptor; anion channel | 2 |
| 2999396 | 10.1021/jm00149a012 | Felis catus | 1 |
| 2999396 | 10.1021/jm00149a012 | Gamma-aminobutyric acid receptor subunit gamma-1 | 1 |
| 2999396 | 10.1021/jm00149a012 | GABA transporter | 1 |
Data from ChEMBL 36 via Core Engine