Compound Detail
CHEMBL3958152
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Basic Information
| ChEMBL ID | CHEMBL3958152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBBNQAJEJZYWPT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
4.03
ALogP
7
HBA
2
HBD
97.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | IC50 | 6.44 | 6.44 | 364.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 49.0 | nM | 7.31 | In vitro IRAK-1 and IRAK-4 Assay: Purified recombinant IRAK-4 protein was incuba... | - |
| Interleukin-1 receptor-associated kinase 1 | IC50 | = | 364.0 | nM | 6.44 | In vitro IRAK-1 and IRAK-4 Assay: Purified recombinant IRAK-4 protein was incuba... | - |
Data from ChEMBL 36 via Core Engine