Compound Detail
CHEMBL537427
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C[C@@H](N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12.Cl
Basic Information
| ChEMBL ID | CHEMBL537427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTQTUGKVMYXBLG-GRFVZBLOSA-N |
| Parent Compound | CHEMBL1188810 |
| Active Moiety | CHEMBL1188810 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
5.68
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL2516 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | IC50 | = | 2600.0 | nM | 5.58 | Activity at rat CaSR in CHO cells assessed as inhibition of calcium ion-induced ... | 16913701 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16913701 | 10.1021/jm051233+ | Extracellular calcium-sensing receptor | 2 |
Data from ChEMBL 36 via Core Engine