Compound Detail
CHEMBL6008150
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Cc1coc(-c2cnc(OC[C@@H]3CCC(=O)N3)c3cc(OC(C)C)c(C(N)=O)cc23)n1
Basic Information
| ChEMBL ID | CHEMBL6008150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIMUDYDLGPXLHH-ZDUSSCGKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
2.74
ALogP
7
HBA
2
HBD
129.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
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 | 7.58 | 3.0 | 2 |
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 | IRAK4 Enzymatic DELFIA Assay, Protocol B: This is an in vitro assay to measure I... | - |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 227.0 | nM | 6.64 | IRAK4 Enzymatic DELFIA Assay, Protocol A: This is an in vitro assay to measure I... | - |
Data from ChEMBL 36 via Core Engine