Compound Detail
CHEMBL521021
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Basic Information
| ChEMBL ID | CHEMBL521021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNFNSGWGHPKSEY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.3
MW (Da)
4.87
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.68 | 6.095 | 210.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 210.0 | nM | 6.68 | Inhibition of CRAC channel-mediated calcium influx in human Jurkat cells | 18835179 |
| Unchecked | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of VOC channel-mediated calcium influx in mouse PC12-h5 cells | 18835179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18835179 | 10.1016/j.bmc.2008.09.047 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine