Compound Detail
CHEMBL1223714
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COCCn1c(-c2ccc(C(C)C)cc2)nc2c(C(F)(F)F)c(Cc3cccnc3SC)cc(OC)c21
Basic Information
| ChEMBL ID | CHEMBL1223714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJIQNOQRLZSHST-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
529.6
MW (Da)
7.21
ALogP
6
HBA
0
HBD
49.2
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL1878 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | IC50 | = | 1.6 | nM | 8.8 | Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as i... | 20685119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20685119 | 10.1016/j.bmcl.2010.07.016 | Extracellular calcium-sensing receptor | 1 |
Data from ChEMBL 36 via Core Engine