Compound Detail
CHEMBL5756364
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CC[C@@H]1CC(=O)N[C@@H]1COc1ncc(NS(=O)(=O)c2cn(C)cn2)c2cc(C(N)=O)c(OC(C)C)cc12
Basic Information
| ChEMBL ID | CHEMBL5756364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAYNRTSYIPAVMK-AUUYWEPGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
1.95
ALogP
9
HBA
3
HBD
167.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 12000.0 | nM | 4.92 | IRAK4 Enzymatic DELFIA Assay, Protocol B: This is an in vitro assay to measure I... | - |
Data from ChEMBL 36 via Core Engine