Compound Detail
CHEMBL540611
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COC(=O)/C=C(/c1ccccc1)C(C)N(C)CC(=O)OC.Cl.O=C(O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1
Basic Information
| ChEMBL ID | CHEMBL540611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLSWVOSASINWAY-HWVPHXJSSA-N |
| Parent Compound | CHEMBL1628366 |
| Active Moiety | CHEMBL1628366 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
641.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA transporter CHEMBL2111478 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA transporter | IC50 | = | 44.0 | nM | 7.36 | In vitro inhibitory activity against [3H]-GABA transport in rat cerebrocortical ... | 15509161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15509161 | 10.1021/jm040809c | GABA transporter | 3 |
Data from ChEMBL 36 via Core Engine