Compound Detail
CHEMBL105536
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Basic Information
| ChEMBL ID | CHEMBL105536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKHSBLZDXXEWNM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
118.2
MW (Da)
0.07
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent creatine transporter 1 CHEMBL3814 | Ki | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent creatine transporter 1 | Ki | = | 94000.0 | nM | 4.03 | Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusio... | 15149650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149650 | 10.1016/j.bmcl.2004.04.020 | Sodium- and chloride-dependent creatine transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine