Compound Detail
CHEMBL488736
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL488736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJHBLXHDNLLBTE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
4.19
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL1878 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | IC50 | = | 210.0 | nM | 6.68 | Binding affinity to human parathyroid calcium receptor 1 expressed in HEK293 4.0... | 19492813 |
| Unchecked | IC50 | = | 450.0 | nM | 6.35 | Antagonist activity at human calcium receptor 1 expressed in HEK293 4.0-7 cells ... | 19492813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19492813 | 10.1021/jm900364m | Extracellular calcium-sensing receptor | 1 |
| 19492813 | 10.1021/jm900364m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine