Compound Detail
CHEMBL1668409
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Basic Information
| ChEMBL ID | CHEMBL1668409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDSSYTXEXBCUIC-LPHOPBHVSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.80
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast cell CHEMBL613709 | IC50 | 8.0 | 6.18 | 10.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast cell | IC50 | = | 10.0 | nM | 8.0 | Inhibition of vancomycin-induced histamine release in rat peritoneal mast cells | 21273065 |
| Mast cell | IC50 | = | 1490.0 | nM | 5.83 | Inhibition of compound 48/80-induced histamine release in rat peritoneal mast ce... | 21273065 |
| Mast cell | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of concanavalin A-induced histamine release in rat peritoneal mast ce... | 21273065 |
| Mast cell | IC50 | = | 8060.0 | nM | 5.09 | Inhibition of A23187-induced histamine release in rat peritoneal mast cells | 21273065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21273065 | 10.1016/j.bmcl.2010.12.095 | Mast cell | 10 |
| 21273065 | 10.1016/j.bmcl.2010.12.095 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine