Compound Detail
CHEMBL1164855
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Basic Information
| ChEMBL ID | CHEMBL1164855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADSALMJPJUKESW-YFKPBYRVSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
129.2
MW (Da)
0.21
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.13 | 4.13 | 74200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 74200.0 | nM | 4.13 | Inhibition of GAT3-mediated [3H]GABA uptake in bovine brain stem | 20219271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20219271 | 10.1016/j.ejmech.2010.02.029 | Unchecked | 2 |
| 25698617 | 10.1016/j.bmc.2015.01.035 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 25698617 | 10.1016/j.bmc.2015.01.035 | GABA transporter 2 | 1 |
| 25698617 | 10.1016/j.bmc.2015.01.035 | GABA transporter 3 | 1 |
| 25698617 | 10.1016/j.bmc.2015.01.035 | GABA transporter 4 | 1 |
Data from ChEMBL 36 via Core Engine