Compound Detail
CHEMBL2377743
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CS(=O)(=O)Nc1ccc2sc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)nc2c1
Basic Information
| ChEMBL ID | CHEMBL2377743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIVGEPBMNUBYFN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
593.8
MW (Da)
5.06
ALogP
7
HBA
2
HBD
103.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL1878 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | EC50 | = | 30.0 | nM | 7.52 | 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