Compound Detail
CHEMBL29023
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Basic Information
| ChEMBL ID | CHEMBL29023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVBFOISSXOCORH-XHIXCECLSA-M |
| Parent Compound | CHEMBL1204836 |
| Active Moiety | CHEMBL1204836 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
3.51
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 2 CHEMBL3195 | IC50 | 5.93 | 5.93 | 1170.0 | 1 |
| Sodium- and chloride-dependent glycine transporter 1 CHEMBL4556 | IC50 | 5.02 | 5.02 | 9560.0 | 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 | = | 1170.0 | nM | 5.93 | In vitro glycine reuptake inhibitory activity against glycine transporter type-2... | 11378357 |
| Sodium- and chloride-dependent glycine transporter 1 | IC50 | = | 9560.0 | nM | 5.02 | In vitro glycine reuptake inhibitory activity against glycine transporter type-1... | 11378357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11378357 | 10.1016/s0960-894x(01)00253-0 | Sodium- and chloride-dependent glycine transporter 2 | 1 |
| 11378357 | 10.1016/s0960-894x(01)00253-0 | Sodium- and chloride-dependent glycine transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine