Compound Detail
CHEMBL563076
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Basic Information
| ChEMBL ID | CHEMBL563076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEKFZEJQDDOOSG-PKLMIRHRSA-N |
| Parent Compound | CHEMBL1197220 |
| Active Moiety | CHEMBL1197220 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
466.5
MW (Da)
5.12
ALogP
5
HBA
1
HBD
53.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA transporter CHEMBL2111478 | IC50 | 6.98 | 6.98 | 105.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA transporter | IC50 | = | 105.0 | nM | 6.98 | 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