Compound Detail
CHEMBL113450
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Basic Information
| ChEMBL ID | CHEMBL113450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMRMBXMGHPUYTF-OWOJBTEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
155.2
MW (Da)
0.63
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 52000.0 | nM | 4.28 | Binding affinity against Gamma-aminobutyric acid A receptor in rat cerebral cort... | 7650683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650683 | 10.1021/jm00017a014 | No relevant target | 2 |
| 7650683 | 10.1021/jm00017a014 | GABA-A receptor; anion channel | 1 |
| 7650683 | 10.1021/jm00017a014 | GABA B receptor | 1 |
| 7650683 | 10.1021/jm00017a014 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine