Compound Detail
CHEMBL5944877
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Cn1cc(-c2cccc(C(=O)Nc3cc4cn(CC(=O)N5CCN(C(=O)C6CC6)CC5)nc4cc3F)n2)cn1
Basic Information
| ChEMBL ID | CHEMBL5944877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATXKXBNJTKUYKW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
2.30
ALogP
8
HBA
1
HBD
118.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 25.0 | nM | 7.6 | Kinase Assay: For the assay, 11 different concentrations in the range from 20 μM... | - |
Data from ChEMBL 36 via Core Engine