Compound Detail
CHEMBL485355
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Basic Information
| ChEMBL ID | CHEMBL485355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAZQYGNDJMYHAW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
457.4
MW (Da)
2.95
ALogP
5
HBA
1
HBD
84.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 1 CHEMBL2337 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 46.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 48.0 | % | Rattus norvegicus |
| T1/2 | 2.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 1 | IC50 | = | 3.62 | nM | 8.44 | 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 | Rattus norvegicus | 3 |
| 19318248 | 10.1016/j.bmcl.2009.02.102 | Liver microsomes | 2 |
| 19318248 | 10.1016/j.bmcl.2009.02.102 | Sodium- and chloride-dependent glycine transporter 1 | 1 |
| 19318248 | 10.1016/j.bmcl.2009.02.102 | ADMET | 1 |
| 19318248 | 10.1016/j.bmcl.2009.02.102 | Mus musculus | 1 |
| 19318248 | 10.1016/j.bmcl.2009.02.102 | Sodium- and chloride-dependent glycine transporter 2 | 1 |
Data from ChEMBL 36 via Core Engine