Compound Detail
CHEMBL4453441
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Basic Information
| ChEMBL ID | CHEMBL4453441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMOIQLXOGZDGRD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
2.43
ALogP
9
HBA
3
HBD
129.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 9.7 | 7.7733 | 0.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 0.2 | nM | 9.7 | Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 J... | 30891145 |
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 90.0 | nM | 7.05 | Inhibition of TYK2 JH2 domain in IFNalpha/IL23-stimulated human Kit225 cells by ... | 30891145 |
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 268.0 | nM | 6.57 | Inhibition of TYK2 JH2 domain in human whole blood assessed as decrease in IFNal... | 30891145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30891145 | 10.1021/acsmedchemlett.9b00035 | Non-receptor tyrosine-protein kinase TYK2 | 3 |
| 30891145 | 10.1021/acsmedchemlett.9b00035 | ADMET | 3 |
| 30891145 | 10.1021/acsmedchemlett.9b00035 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine