Compound Detail
CHEMBL213015
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Basic Information
| ChEMBL ID | CHEMBL213015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGWINWYVDWEKKX-INIZCTEOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
3.16
ALogP
6
HBA
2
HBD
90.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.72 | 5.495 | 1900.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.4 | 4.4 | 39900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 1900.0 | nM | 5.72 | Displacement of [3H]muscimol from GABA-A receptor in Sprague-Dawley rat spinal c... | 16942030 |
| GABA-A receptor; anion channel | IC50 | = | 5400.0 | nM | 5.27 | Displacement of [3H]muscimol from GABA-A receptor in Sprague-Dawley rat cerebral... | 16942030 |
| Unchecked | IC50 | = | 39900.0 | nM | 4.4 | Displacement of [3H]strychnine from strychnine-sensitive glycine receptor in rat... | 16942030 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16942030 | 10.1021/jm060585t | GABA-A receptor; anion channel | 2 |
| 16942030 | 10.1021/jm060585t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine