Compound Detail
CHEMBL4537371
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 | CHEMBL4537371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWYYAGMSQFPJGP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
2.39
ALogP
6
HBA
0
HBD
69.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-3 CHEMBL3026 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL4956 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-2 | Ki | = | 1000.0 | nM | 6.0 | Binding affinity to GABA-A alpha2 (unknown origin) | 31738537 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | Ki | = | 1000.0 | nM | 6.0 | Binding affinity to GABA-A alpha3 (unknown origin) | 31738537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31738537 | 10.1021/acs.jmedchem.9b01312 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 31738537 | 10.1021/acs.jmedchem.9b01312 | Gamma-aminobutyric acid receptor subunit alpha-2 | 2 |
| 31738537 | 10.1021/acs.jmedchem.9b01312 | Gamma-aminobutyric acid receptor subunit alpha-3 | 2 |
| 31738537 | 10.1021/acs.jmedchem.9b01312 | Gamma-aminobutyric acid receptor subunit alpha-5 | 2 |
Data from ChEMBL 36 via Core Engine