Compound Detail
CHEMBL199716
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Basic Information
| ChEMBL ID | CHEMBL199716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNGWSBJQSMWRPW-KAYWLYCHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
4.65
ALogP
4
HBA
2
HBD
59.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL1878 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Extracellular calcium-sensing receptor CHEMBL2516 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | IC50 | = | 190.0 | nM | 6.72 | Inhibition of intracellular calcium release in human TT cells containing calcium... | 16216508 |
| Extracellular calcium-sensing receptor | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of extracellular calcium-induced inositol triphosphate generation in ... | 16216508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16216508 | 10.1016/j.bmcl.2005.08.095 | Extracellular calcium-sensing receptor | 2 |
Data from ChEMBL 36 via Core Engine