Compound Detail
CHEMBL537870
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C[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12.Cl
Basic Information
| ChEMBL ID | CHEMBL537870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAFGZACCNDAGHX-ASKHSIQVSA-N |
| Parent Compound | CHEMBL1188986 |
| Active Moiety | CHEMBL1188986 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
6.54
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL2516 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | IC50 | = | 330.0 | nM | 6.48 | 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 | 1 |
Data from ChEMBL 36 via Core Engine