Compound Detail
CHEMBL544963
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Basic Information
| ChEMBL ID | CHEMBL544963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BENGRRNITWKSPS-NTISSMGPSA-N |
| Parent Compound | CHEMBL1193538 |
| Active Moiety | CHEMBL1193538 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
4.29
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.72 | 5.72 | 1920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1920.0 | nM | 5.72 | In vitro inhibition of [3H]GABA uptake in rat synaptosomes | 8510100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8510100 | 10.1021/jm00064a005 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine