Compound Detail
CHEMBL544729
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Basic Information
| ChEMBL ID | CHEMBL544729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQBKHUOZUNHNIM-NKBLJONXSA-N |
| Parent Compound | CHEMBL1193340 |
| Active Moiety | CHEMBL1193340 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
4.66
ALogP
4
HBA
1
HBD
40.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.95 | 6.95 | 112.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 112.0 | nM | 6.95 | In vitro inhibition of [3H]GABA uptake in rat synaptosomes | 8510100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8510100 | 10.1021/jm00064a005 | Unchecked | 1 |
| 8510100 | 10.1021/jm00064a005 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine