Compound Detail
CHEMBL3403749
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Basic Information
| ChEMBL ID | CHEMBL3403749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATRNLFNOFWLINC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
4.57
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.85 | 5.685 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of Orai-mediated calcium entry in human Jurkat E6-1 cells after 1 hr ... | 25690784 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | 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 |
Data from ChEMBL 36 via Core Engine