Compound Detail
CHEMBL4285841
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Basic Information
| ChEMBL ID | CHEMBL4285841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSKLPBZBZREBGV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
2.18
ALogP
8
HBA
3
HBD
101.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 8.22 | 7.9733 | 6.0 | 3 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 6.0 | nM | 8.22 | Displacement of [3H]-(R)-N-(1-(3-(8-methyl-5-(methylamino)-8H-imidazo[4,5-d]thia... | 30108788 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of TYK2 JH2 domain in IFNalpha-stimulated human Kit225 T cells by luc... | 30108788 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of TYK2 JH2 domain in IL23-stimulated human Kit225 T cells by lucifer... | 30108788 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 24.0 | nM | 7.62 | Displacement of [3H]-c-AMP from His-Tb-tagged human PDE4D2 (86 to 413 residues) ... | 30108788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108788 | 10.1039/C6MD00560H | Non-receptor tyrosine-protein kinase TYK2 | 3 |
| 30108788 | 10.1039/C6MD00560H | ADMET | 3 |
| 30108788 | 10.1039/C6MD00560H | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine