Compound Detail
CHEMBL3403759
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Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1
Basic Information
| ChEMBL ID | CHEMBL3403759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDVDDCRHNNQFFM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.0
MW (Da)
5.02
ALogP
4
HBA
1
HBD
75.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Orai-mediated calcium entry in human Jurkat E6-1 cells after 1 hr ... | 25690784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25690784 | 10.1016/j.bmcl.2015.01.063 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine