Compound Detail
CHEMBL2163548
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2163548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOFGLRKYNSZCQZ-CQSZACIVSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
366.3
MW (Da)
2.39
ALogP
5
HBA
1
HBD
91.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.92
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 5.68 | 5.285 | 2100.0 | 2 |
| Xenopus laevis CHEMBL613478 | EC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Gamma-aminobutyric acid receptor subunit beta-3 CHEMBL1847 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 | EC50 | = | 1200.0 | nM | 5.92 | Activation of human alpha1beta3gamma2L GABA A receptor expressed in HEK293 cells... | 22734650 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | EC50 | = | 2100.0 | nM | 5.68 | Activation of human alpha1beta2gamma2L GABA A receptor expressed in Xenopus laev... | 22734650 |
| Xenopus laevis | EC50 | = | 3700.0 | nM | 5.43 | Anesthetic activity in Xenopus laevis tadpoles assessed as loss of of righting r... | 22734650 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | IC50 | = | 3800.0 | nM | 5.42 | Displacement of [3H]R-(-)-14 from human FLAG-tagged alpha1 GABA A receptor expre... | 22734650 |
| Gamma-aminobutyric acid receptor subunit beta-3 | IC50 | = | 3900.0 | nM | 5.41 | Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expres... | 22734650 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | EC50 | = | 13000.0 | nM | 4.89 | Agonist activity at human alpha1beta2gamma2L GABA A receptor expressed in Xenopu... | 22734650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22734650 | 10.1021/jm300631e | GABA-A receptor; alpha-1/beta-2/gamma-2 | 8 |
| 22734650 | 10.1021/jm300631e | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 22734650 | 10.1021/jm300631e | Gamma-aminobutyric acid receptor subunit beta-3 | 2 |
| 22734650 | 10.1021/jm300631e | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
| 22734650 | 10.1021/jm300631e | Xenopus laevis | 1 |
Data from ChEMBL 36 via Core Engine