Compound Detail
CHEMBL2377745
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O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL2377745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAWRUXJWRYIPJC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
584.7
MW (Da)
6.58
ALogP
6
HBA
1
HBD
66.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL1878 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | EC50 | = | 90.0 | nM | 7.05 | Positive allosteric modulation of human CaSR expressed in CHO cells assessed as ... | 23499504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23499504 | 10.1016/j.bmcl.2013.01.077 | Extracellular calcium-sensing receptor | 1 |
Data from ChEMBL 36 via Core Engine