Compound Detail
CHEMBL485405
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL485405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCAHHIVOOXCDDJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.3
MW (Da)
5.58
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.37 | 6.035 | 430.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 430.0 | nM | 6.37 | Inhibition of CRAC channel-mediated calcium influx in human Jurkat cells | 18835179 |
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | 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