Compound Detail
CHEMBL346444
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL346444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJAXSQRTPSSJPO-RXMQYKEDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
168.2
MW (Da)
0.98
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of GABA uptake into crude synaptosomes prepared from adult rat brain | 10639282 |
| Mus musculus | IC50 | = | 60000.0 | nM | 4.22 | Effect on glial GABA(1 uM) uptake was measured using astrocytes cultured from ce... | 10639282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10639282 | 10.1021/jm9904452 | Mus musculus | 2 |
| 10639282 | 10.1021/jm9904452 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine