Compound Detail
CHEMBL379668
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COc1cc2c(c(Cl)c1Cl)C(=O)C(CCN(C)[C@@H](C)C(=O)O)(c1ccccc1)C2=O
Basic Information
| ChEMBL ID | CHEMBL379668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVLIPXUTHJTYCL-BJDAYTSDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
450.3
MW (Da)
4.11
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 1 CHEMBL2337 | IC50 | 9.33 | 9.33 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 1 | IC50 | = | 0.47 | nM | 9.33 | Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1 | 16321523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16321523 | 10.1016/j.bmcl.2005.11.041 | Sodium- and chloride-dependent glycine transporter 1 | 1 |
| 16321523 | 10.1016/j.bmcl.2005.11.041 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 16321523 | 10.1016/j.bmcl.2005.11.041 | 5-hydroxytryptamine receptor 1A | 1 |
| 16321523 | 10.1016/j.bmcl.2005.11.041 | 5-hydroxytryptamine receptor 2A | 1 |
| 16321523 | 10.1016/j.bmcl.2005.11.041 | D(2) dopamine receptor | 1 |
| 16321523 | 10.1016/j.bmcl.2005.11.041 | Sodium- and chloride-dependent glycine transporter 2 | 1 |
Data from ChEMBL 36 via Core Engine