Compound Detail
CHEMBL5090382
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Basic Information
| ChEMBL ID | CHEMBL5090382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQJHMIKXSXRPAX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.8
MW (Da)
5.99
ALogP
4
HBA
1
HBD
46.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta CHEMBL4523639 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.96 | 5.96 | 1096.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta | EC50 | = | 1100.0 | nM | 5.96 | Positive allosteric modulation of human recombinant alpha4beta1delta GABAA recep... | 33847501 |
| Unchecked | EC50 | = | 1096.48 | nM | 5.96 | Positive allosteric modulation of human recombinant alpha4beta1gamma2 GABAA rece... | 33847501 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33847501 | 10.1021/acs.jmedchem.0c02163 | Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta | 3 |
| 33847501 | 10.1021/acs.jmedchem.0c02163 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine