Compound Detail
CHEMBL3403744
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Basic Information
| ChEMBL ID | CHEMBL3403744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSFUYJPMJGSAKZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
394.8
MW (Da)
5.44
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.64 | 7.41 | 23.0 | 2 |
| LAD2 CHEMBL4483253 | IC50 | 6.43 | 6.43 | 372.0 | 1 |
| Whole blood CHEMBL2367373 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 23.0 | nM | 7.64 | Inhibition of Orai channel in phytohemagglutinin-stimulated human Jurkat E6-1 ce... | 25690784 |
| Unchecked | IC50 | = | 66.0 | nM | 7.18 | Inhibition of Orai-mediated calcium entry in human Jurkat E6-1 cells after 1 hr ... | 25690784 |
| LAD2 | IC50 | = | 372.0 | nM | 6.43 | Inhibition of degranulation in human LAD2 cells assessed as inhibition of IgE-in... | 25690784 |
| Whole blood | IC50 | = | 500.0 | nM | 6.3 | Inhibition of IL2 secretion in rat whole blood after 24 hrs by Rat IL-2 DuoSet a... | 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 | Liver microsome | 2 |
| 25690784 | 10.1016/j.bmcl.2015.01.063 | Calcium release-activated calcium channel protein 1 | 1 |
| 25690784 | 10.1016/j.bmcl.2015.01.063 | LAD2 | 1 |
| 25690784 | 10.1016/j.bmcl.2015.01.063 | Whole blood | 1 |
| 25690784 | 10.1016/j.bmcl.2015.01.063 | CHO | 1 |
| 25690784 | 10.1016/j.bmcl.2015.01.063 | ADMET | 1 |
| 25690784 | 10.1016/j.bmcl.2015.01.063 | No relevant target | 1 |
| 25690784 | 10.1016/j.bmcl.2015.01.063 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine