Compound Detail
CHEMBL153630
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Basic Information
| ChEMBL ID | CHEMBL153630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNTKRACVKGTMSU-UXBLZVDNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.56
ALogP
3
HBA
3
HBD
61.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 2 CHEMBL3060 | IC50 | 7.25 | 7.25 | 56.0 | 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 | = | 56.0 | nM | 7.25 | Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed ... | 14698200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698200 | 10.1016/j.bmcl.2003.09.080 | Unchecked | 3 |
| 14698200 | 10.1016/j.bmcl.2003.09.080 | Sodium- and chloride-dependent glycine transporter 2 | 1 |
Data from ChEMBL 36 via Core Engine