Compound Detail
CHEMBL5813387
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CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3nc(CO)c[nH]3)c2cc1C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5813387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKNUMOMTVFFXPE-LBPRGKRZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
1.66
ALogP
7
HBA
4
HBD
152.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 6.72 | 6.2 | 190.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 190.0 | nM | 6.72 | IRAK4 Enzymatic DELFIA Assay, Protocol B: This is an in vitro assay to measure I... | - |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 2100.0 | nM | 5.68 | IRAK4 Enzymatic DELFIA Assay, Protocol A: This is an in vitro assay to measure I... | - |
Data from ChEMBL 36 via Core Engine