Compound Detail
CHEMBL307931
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Basic Information
| ChEMBL ID | CHEMBL307931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGNSCSPNOLGXSM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
118.1
MW (Da)
-1.25
ALogP
3
HBA
3
HBD
89.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| GABA transporter CHEMBL2111478 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 33.0 | nM | 7.48 | In vitro inhibition of [3H]GABA binding to Gamma-aminobutyric acid receptor from... | 3005567 |
| GABA transporter | IC50 | = | 2000.0 | nM | 5.7 | In vitro inhibition of rat neuronal (synaptosomal) GABA uptake. | 3005567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3005567 | 10.1021/jm00152a010 | No relevant target | 1 |
| 3005567 | 10.1021/jm00152a010 | GABA-A receptor; anion channel | 1 |
| 3005567 | 10.1021/jm00152a010 | GABA transporter | 1 |
| 19261478 | 10.1016/j.bmc.2009.02.018 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine