Compound Detail
CHEMBL150830
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Basic Information
| ChEMBL ID | CHEMBL150830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXXLKZCNJHJYFL-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
140.1
MW (Da)
0.03
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
| Gamma-aminobutyric acid receptor subunit gamma-1 CHEMBL296 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 72000.0 | nM | 4.14 | In vitro inhibition of [3H]GABA binding to Gamma-aminobutyric acid receptor from... | 3005567 |
| Gamma-aminobutyric acid receptor subunit gamma-1 | IC50 | = | 72000.0 | nM | 4.14 | In vitro affinity for GABA binding sites on purified synaptic membranes from rat... | 6304315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6304315 | 10.1021/jm00360a020 | Felis catus | 3 |
| 10639282 | 10.1021/jm9904452 | Mus musculus | 2 |
| 6304315 | 10.1021/jm00360a020 | No relevant target | 2 |
| 3005567 | 10.1021/jm00152a010 | No relevant target | 1 |
| 3005567 | 10.1021/jm00152a010 | GABA-A receptor; anion channel | 1 |
| 3005567 | 10.1021/jm00152a010 | GABA transporter | 1 |
| 10639282 | 10.1021/jm9904452 | Rattus norvegicus | 1 |
| 6304315 | 10.1021/jm00360a020 | Unchecked | 1 |
| 6304315 | 10.1021/jm00360a020 | Gamma-aminobutyric acid receptor subunit gamma-1 | 1 |
| 6304315 | 10.1021/jm00360a020 | GABA transporter | 1 |
Data from ChEMBL 36 via Core Engine