Compound Detail
CHEMBL2322935
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Basic Information
| ChEMBL ID | CHEMBL2322935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPHCCWAANKZCTG-VOTSOKGWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
4.48
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-B receptor CHEMBL2111463 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Gamma-aminobutyric acid receptor subunit beta-1/beta-2 CHEMBL4296045 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-B receptor | EC50 | = | 40000.0 | nM | 4.4 | Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assess... | 23428109 |
| Gamma-aminobutyric acid receptor subunit beta-1/beta-2 | EC50 | = | 40000.0 | nM | 4.4 | Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells ... | 29657102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23428109 | 10.1021/jm301805e | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 23428109 | 10.1021/jm301805e | GABA-B receptor | 1 |
| 29657102 | 10.1016/j.bmcl.2018.04.003 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 29657102 | 10.1016/j.bmcl.2018.04.003 | Gamma-aminobutyric acid receptor subunit beta-1/beta-2 | 1 |
Data from ChEMBL 36 via Core Engine