Compound Detail
CHEMBL6045811
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CN1CCC2(CC1)Cc1cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(N)=O)CC3)cc1O2
Basic Information
| ChEMBL ID | CHEMBL6045811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSIYVFDBWCAUSJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
0.99
ALogP
9
HBA
2
HBD
121.3
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 1.7 | nM | 8.77 | Biological Assay: Kinase activities were assayed using the Transcreener-Fluorece... | - |
Data from ChEMBL 36 via Core Engine