Compound Detail
CHEMBL5778294
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O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(C[C@@H]1CCC[C@H]1O)C2)c1cnn2cccnc12
Basic Information
| ChEMBL ID | CHEMBL5778294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFAGLQHSDLEIAU-KSFYIVLOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
1.94
ALogP
8
HBA
2
HBD
112.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 2.1 | nM | 8.68 | Biological Assay: Kinase activities were assayed using the Transcreener-Fluorece... | - |
Data from ChEMBL 36 via Core Engine