Compound Detail
CHEMBL456461
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Basic Information
| ChEMBL ID | CHEMBL456461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUFXASCMUOAMBC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
5.15
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.78
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast cell CHEMBL612574 | IC50 | 6.55 | 5.77 | 280.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast cell | IC50 | = | 280.0 | nM | 6.55 | Inhibition of A23187-induced degranulation in Wistar rat peritoneal mast cells a... | 18406013 |
| Mast cell | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of compound-48/80 induced degranulation in Wistar rat peritoneal mast... | 18406013 |
| Mast cell | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of concanavalin A-induced degranulation in Wistar rat peritoneal mast... | 18406013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18406013 | 10.1016/j.ejmech.2008.02.009 | Mast cell | 4 |
Data from ChEMBL 36 via Core Engine