Compound Detail
CHEMBL3732114
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Basic Information
| ChEMBL ID | CHEMBL3732114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZJNQHNFNWKYND-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
405.3
MW (Da)
6.58
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ORAI1/STIM1 CHEMBL3832644 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ORAI1/STIM1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of recombinant human STIM1/Orai1 expressed in HEK293 cells assessed a... | - |
Data from ChEMBL 36 via Core Engine