Compound Detail
CHEMBL2387662
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Basic Information
| ChEMBL ID | CHEMBL2387662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWCMUJAARSRKPV-DHZHZOJOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.4
MW (Da)
3.98
ALogP
4
HBA
1
HBD
66.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 4.53 | 4.53 | 29512.1 | 1 |
| GABA transporter 3 CHEMBL5205 | IC50 | 4.22 | 4.22 | 60256.0 | 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 | = | 29512.09 | nM | 4.53 | Inhibition of mouse GAT1 expressed in HEK cells assessed as inhibition of [3H]-G... | 23598250 |
| GABA transporter 3 | IC50 | = | 60255.96 | nM | 4.22 | 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