Compound Detail
CHEMBL5954018
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COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](CF)[C@@H]43)ccnc2cc1C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5954018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUHWMLYTCNELNI-PBXWNFIWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
1.05
ALogP
5
HBA
2
HBD
103.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 9.52 | 9.52 | 0.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 0.3 | nM | 9.52 | IRAK4 Enzymatic DELFIA Assay, Protocol A: This is an in vitro assay to measure I... | - |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 0.3 | nM | 9.52 | Enzymatic DELFIA Assay: Protocol B: To begin the assay, 45 μL of reaction mixtur... | - |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 0.3 | nM | 9.52 | IRAK4 Enzymatic DELFIA Assay, Protocol A: This is an in vitro assay to measure I... | - |
Data from ChEMBL 36 via Core Engine