Compound Detail
CHEMBL520956
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O=C(NCC1(CC2CC2)CCN(S(=O)(=O)c2cn(CC(F)(F)F)nn2)CC1)c1ccc(Cl)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL520956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVAIKWJKPXOGMS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
554.4
MW (Da)
4.15
ALogP
6
HBA
1
HBD
97.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 1 CHEMBL2337 | IC50 | 6.3 | 6.3 | 501.6 | 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 | = | 501.6 | nM | 6.3 | Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in hum... | 19318248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19318248 | 10.1016/j.bmcl.2009.02.102 | Sodium- and chloride-dependent glycine transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine