Compound Detail
CHEMBL4529526
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Basic Information
| ChEMBL ID | CHEMBL4529526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYEABSUHPBMHRO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
287.7
MW (Da)
2.68
ALogP
4
HBA
1
HBD
67.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 6.67 | 6.665 | 213.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 213.8 | nM | 6.67 | Displacement of [3H]NCS-382 from high-affinity GHB binding site of GABA(A) recep... | 30763084 |
| GABA-A receptor; anion channel | Ki | = | 220.0 | nM | 6.66 | 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 | ADMET | 9 |
| 30763084 | 10.1021/acs.jmedchem.9b00131 | GABA-A receptor; anion channel | 4 |
| 30763084 | 10.1021/acs.jmedchem.9b00131 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine