Compound Detail
CHEMBL3893473
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Basic Information
| ChEMBL ID | CHEMBL3893473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRNAVIYNHGZRMP-UHFFFAOYSA-N |
3
Targets
3
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 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.35 | 6.35 | 449.0 | 1 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 24.0 | nM | 7.62 | In vitro IRAK-1 and IRAK-4 Assay: Purified recombinant IRAK-4 protein was incuba... | - |
| Tyrosine-protein kinase SYK | IC50 | = | 449.0 | nM | 6.35 | In vitro SYK Kinase Assay: SYK activity is measured by phosphorylation of a pept... | - |
| Interleukin-1 receptor-associated kinase 1 | IC50 | = | 760.0 | nM | 6.12 | In vitro IRAK-1 and IRAK-4 Assay: Purified recombinant IRAK-4 protein was incuba... | - |
Data from ChEMBL 36 via Core Engine