Compound Detail
CHEMBL4581397
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Basic Information
| ChEMBL ID | CHEMBL4581397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUVOIDSPJBYSAY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.60
ALogP
5
HBA
1
HBD
76.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 5.67 | 5.665 | 2138.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 2137.96 | nM | 5.67 | Displacement of [3H]NCS-382 from high-affinity GHB binding site of GABA(A) recep... | 30763084 |
| GABA-A receptor; anion channel | Ki | = | 2200.0 | nM | 5.66 | Displacement of [3H]NCS-382 from high-affinity GHB binding site of GABA(A) recep... | 30763084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30763084 | 10.1021/acs.jmedchem.9b00131 | GABA-A receptor; anion channel | 3 |
Data from ChEMBL 36 via Core Engine