Compound Detail
CHEMBL3945731
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Basic Information
| ChEMBL ID | CHEMBL3945731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BALKLJYKTFYRRF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
4.27
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/iodide cotransporter CHEMBL2331047 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/iodide cotransporter | IC50 | = | 550.0 | nM | 6.26 | Inhibition of sodium iodide symporter in rat FRTL5 cells assessed as inhibition ... | - |
Data from ChEMBL 36 via Core Engine