Compound Detail
CHEMBL1681888
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Basic Information
| ChEMBL ID | CHEMBL1681888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMPSDPZBGHYHQZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
429.9
MW (Da)
5.53
ALogP
6
HBA
0
HBD
58.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL4956 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-1 | IC50 | = | 50.0 | nM | 7.3 | Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in ... | 21277199 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | IC50 | = | 155.0 | nM | 6.81 | Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in ... | 21277199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21277199 | 10.1016/j.bmcl.2010.12.107 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 21277199 | 10.1016/j.bmcl.2010.12.107 | Gamma-aminobutyric acid receptor subunit alpha-2 | 2 |
Data from ChEMBL 36 via Core Engine