Compound Detail
CHEMBL3144849
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Basic Information
| ChEMBL ID | CHEMBL3144849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNSSWFZNVYBLJJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.85
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 10.52 | 10.52 | 0.0 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 10.4 | 10.4 | 0.0 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 10.15 | 10.15 | 0.1 | 1 |
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 9.77 | 9.77 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-2/beta-3/gamma-2 | Ki | = | 0.03 | nM | 10.52 | Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor ... | 10633039 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 0.04 | nM | 10.4 | Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor... | 10633039 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 0.07 | nM | 10.15 | Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor... | 10633039 |
| GABA-A receptor; alpha-5/beta-3/gamma-2 | Ki | = | 0.17 | nM | 9.77 | Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor... | 10633039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10633039 | 10.1021/jm990341r | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
| 10633039 | 10.1021/jm990341r | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
| 10633039 | 10.1021/jm990341r | GABA-A receptor; alpha-3/beta-3/gamma-2 | 1 |
| 10633039 | 10.1021/jm990341r | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine