Compound Detail
CHEMBL2387673
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Basic Information
| ChEMBL ID | CHEMBL2387673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRTSDOUKJZFNHI-XFXZXTDPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
4.34
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 5.96 | 5.96 | 1096.5 | 1 |
| GABA transporter 4 CHEMBL3699 | IC50 | 4.3 | 4.3 | 50118.7 | 1 |
| GABA transporter 3 CHEMBL5205 | IC50 | 4.04 | 4.04 | 91201.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 1096.48 | nM | 5.96 | Inhibition of mouse GAT1 expressed in HEK cells assessed as inhibition of [3H]-G... | 23598250 |
| GABA transporter 4 | IC50 | = | 50118.72 | nM | 4.3 | Inhibition of mouse GAT3 expressed in HEK cells assessed as inhibition of [3H]-G... | 23598250 |
| GABA transporter 3 | IC50 | = | 91201.08 | nM | 4.04 | Inhibition of mouse GAT2 expressed in HEK cells assessed as inhibition of [3H]-G... | 23598250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23598250 | 10.1016/j.bmc.2013.02.056 | Unchecked | 1 |
| 23598250 | 10.1016/j.bmc.2013.02.056 | GABA transporter 4 | 1 |
| 23598250 | 10.1016/j.bmc.2013.02.056 | GABA transporter 3 | 1 |
| 23598250 | 10.1016/j.bmc.2013.02.056 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine