Compound Detail
CHEMBL1689051
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CCC(CC)(NC(=O)c1c(C)nn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(C(C)C)cc1.Cl
Basic Information
| ChEMBL ID | CHEMBL1689051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPOKHIDDMJCGOZ-VQIWEWKSSA-N |
| Parent Compound | CHEMBL1739918 |
| Active Moiety | CHEMBL1739918 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
7.05
ALogP
4
HBA
2
HBD
59.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL1878 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | IC50 | = | 1.7 | nM | 8.77 | Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35... | 21353570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353570 | 10.1016/j.bmc.2011.02.001 | Liver microsomes | 2 |
| 21353570 | 10.1016/j.bmc.2011.02.001 | Extracellular calcium-sensing receptor | 1 |
Data from ChEMBL 36 via Core Engine