Compound Detail
CHEMBL5424441
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CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@@H]3CCN(C)C3=O)cnn12
Basic Information
| ChEMBL ID | CHEMBL5424441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOMZFYXJYBWQHL-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
1.02
ALogP
10
HBA
3
HBD
138.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 6.95 | 6.95 | 112.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 | IC50 | = | 65.0 | nM | 7.19 | Inhibition of IL-23 induced STAT3 phosphorylation in human KIT225 cells by Alpha... | 36951608 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 112.0 | nM | 6.95 | Inhibition of TYK2 JH2 in human TF-1 cells assessed as reduction of IFNalpha ind... | 36951608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36951608 | 10.1021/acs.jmedchem.2c01800 | Non-receptor tyrosine-protein kinase TYK2 | 2 |
| 36951608 | 10.1021/acs.jmedchem.2c01800 | Signal transducer and activator of transcription 3 | 1 |
Data from ChEMBL 36 via Core Engine