Compound Detail
CHEMBL395136
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Basic Information
| ChEMBL ID | CHEMBL395136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RACLCHHASISYPU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.2
MW (Da)
4.04
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit beta-3 CHEMBL1847 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111413 | Ki | 6.41 | 6.41 | 387.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit beta-3 | Ki | = | 2.53 | nM | 8.6 | Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in ... | 17544280 |
| GABA A receptor alpha-2/beta-2/gamma-2 | Ki | = | 387.0 | nM | 6.41 | Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 rece... | 17544280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17544280 | 10.1016/j.bmc.2007.05.039 | Gamma-aminobutyric acid receptor subunit beta-3 | 1 |
| 17544280 | 10.1016/j.bmc.2007.05.039 | GABA A receptor alpha-2/beta-2/gamma-2 | 1 |
| 17544280 | 10.1016/j.bmc.2007.05.039 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine