Compound Detail
CHEMBL226400
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Basic Information
| ChEMBL ID | CHEMBL226400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZECSOKFEQQDUCP-GDYZQIPQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
375.6
MW (Da)
5.72
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 2 CHEMBL3060 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 2 | IC50 | = | 9000.0 | nM | 5.05 | Reversible non-competitive inhibition of human GlyT2a expressed in Xenopus laevi... | 30714733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17383881 | 10.1016/j.bmc.2007.03.026 | RAW264.7 | 9 |
| 18951802 | 10.1016/j.bmc.2008.10.015 | RBL-2H3 | 3 |
| 24731541 | 10.1016/j.bmc.2014.03.038 | NON-PROTEIN TARGET | 1 |
| 30714733 | 10.1021/acs.jmedchem.8b01775 | Sodium- and chloride-dependent glycine transporter 2 | 1 |
Data from ChEMBL 36 via Core Engine