Compound Detail
CHEMBL173339
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL173339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJNFLJNUEOERRU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
290.8
MW (Da)
3.22
ALogP
3
HBA
0
HBD
32.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 7.94 | 7.94 | 11.5 | 1 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 7.88 | 7.88 | 13.2 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 7.87 | 7.87 | 13.4 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 7.72 | 7.72 | 19.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 | Ki | = | 11.5 | nM | 7.94 | Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor... | 10633039 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 | Ki | = | 13.2 | nM | 7.88 | Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor ... | 10633039 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 13.4 | nM | 7.87 | Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor... | 10633039 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 19.2 | nM | 7.72 | 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 |
| 10633039 | 10.1021/jm990341r | GABA-A receptor; alpha-6/beta-3/gamma-2 | 1 |
| 10633039 | 10.1021/jm990341r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine