Compound Detail
CHEMBL5907315
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CC(C)N1CCC(c2cc(NC(=O)c3cccc(-c4ccn[nH]4)c3)n(-c3ccccn3)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL5907315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLAHVJUJQYVKPO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
4.50
ALogP
6
HBA
2
HBD
91.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 3.0 | nM | 8.52 | Z′-LYTE Kinase Assay: The IRAK1 and IRAK 4 IC50 values for various compounds dis... | - |
| Interleukin-1 receptor-associated kinase 1 | IC50 | = | 7.0 | nM | 8.15 | Z′-LYTE Kinase Assay: The IRAK1 and IRAK 4 IC50 values for various compounds dis... | - |
Data from ChEMBL 36 via Core Engine