Compound Detail
CHEMBL3731030
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Basic Information
| ChEMBL ID | CHEMBL3731030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVBGZPOWGPUUIA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
383.9
MW (Da)
5.31
ALogP
5
HBA
1
HBD
60.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| ORAI1/STIM1 CHEMBL3832645 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 50.0 | nM | 7.3 | Inhibition of PHA/TPA-induced IL2 release in human Jurkat T cells preincubated f... | - |
| ORAI1/STIM1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of STIM1/Orai1 in rat RBL2H3 cells assessed as inhibition of upslope ... | - |
Data from ChEMBL 36 via Core Engine