Compound Detail
CHEMBL38856
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Basic Information
| ChEMBL ID | CHEMBL38856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AURFZBICLPNKBZ-LOPWJTSLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.5
MW (Da)
4.60
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid type B receptor subunit 1 CHEMBL2753 | IC50 | 7.9 | 7.9 | 12.6 | 1 |
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid type B receptor subunit 1 | IC50 | = | 12.6 | nM | 7.9 | Binding Assay: [35S]TBPS binding assay. | - |
| GABA-A receptor; anion channel | IC50 | = | 51.0 | nM | 7.29 | Positive allosteric modulator activity at human GABAA receptor measured by [35S]... | 30243589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30243589 | 10.1016/j.bmcl.2018.09.016 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine