Compound Detail
CHEMBL2387658
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2387658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLFLEEKXJUNEEA-FMIVXFBMSA-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 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 4.97 | 4.97 | 10715.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.17 | 4.17 | 67608.3 | 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 | = | 10715.19 | nM | 4.97 | Inhibition of mouse GAT1 expressed in HEK cells assessed as inhibition of [3H]-G... | 23598250 |
| Unchecked | IC50 | = | 67608.3 | nM | 4.17 | Inhibition of mouse GAT4 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