Compound Detail
CHEMBL3403762
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Basic Information
| ChEMBL ID | CHEMBL3403762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACUXZHWXNCJEBT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.2
MW (Da)
6.79
ALogP
3
HBA
1
HBD
54.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.06 | 6.995 | 88.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 88.0 | nM | 7.06 | Inhibition of Orai-mediated calcium entry in human Jurkat E6-1 cells after 1 hr ... | 25690784 |
| Unchecked | IC50 | = | 117.0 | nM | 6.93 | Inhibition of Orai channel in phytohemagglutinin-stimulated human Jurkat E6-1 ce... | 25690784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25690784 | 10.1016/j.bmcl.2015.01.063 | Unchecked | 2 |
| 25690784 | 10.1016/j.bmcl.2015.01.063 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine