Compound Detail
CHEMBL1195284
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Basic Information
| ChEMBL ID | CHEMBL1195284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDRYKGXVXNQQTQ-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.6
MW (Da)
4.63
ALogP
5
HBA
1
HBD
49.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL4054 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 7.85 | 7.85 | 14.1 | 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 | = | 10.0 | nM | 8.0 | Inhibition of rat brain synaptosomes GAT1 assessed as inhibition of [3H]GABA upt... | 25679268 |
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 14.13 | nM | 7.85 | Inhibition of mouse GAT1 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 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 25679268 | 10.1021/jm5015428 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine