Compound Detail
CHEMBL553068
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 | CHEMBL553068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZXDBUAPVQHYPD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1194662 |
| Active Moiety | CHEMBL1194662 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.74
ALogP
4
HBA
1
HBD
53.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA transporter CHEMBL2111478 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA transporter | IC50 | = | 51.0 | nM | 7.29 | In vitro inhibition of [3H]GABA uptake in rat synaptosomes was determined | 11405652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11405652 | 10.1021/jm990513k | GABA transporter | 4 |
Data from ChEMBL 36 via Core Engine