Compound Detail
CHEMBL487507
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 | CHEMBL487507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWAKJSOEJNKPME-OAHLLOKOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
398.3
MW (Da)
4.35
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Extracellular calcium-sensing receptor CHEMBL1878 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 38.0 | nM | 7.42 | Antagonist activity at human calcium receptor 1 expressed in HEK293 4.0-7 cells ... | 19492813 |
| Extracellular calcium-sensing receptor | IC50 | = | 68.0 | nM | 7.17 | Binding affinity to human parathyroid calcium receptor 1 expressed in HEK293 4.0... | 19492813 |
| Beta-2 adrenergic receptor | IC50 | = | 300.0 | nM | 6.52 | Binding affinity to beta2 adrenoceptor | 19492813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19492813 | 10.1021/jm900364m | Unchecked | 1 |
| 19492813 | 10.1021/jm900364m | Extracellular calcium-sensing receptor | 1 |
| 19492813 | 10.1021/jm900364m | Beta-2 adrenergic receptor | 1 |
| 19492813 | 10.1021/jm900364m | Beta-3 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine