Compound Detail
CHEMBL2387112
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Basic Information
| ChEMBL ID | CHEMBL2387112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YINNTXCHGCQOSC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.2
MW (Da)
3.69
ALogP
4
HBA
3
HBD
91.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.36
Ki 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | EC50 | 6.36 | 6.36 | 436.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 3.1 | nM | 8.51 | Inhibition of TYK2 (unknown origin) | 23668484 |
| Non-receptor tyrosine-protein kinase TYK2 | EC50 | = | 436.0 | nM | 6.36 | Inhibition of TYK2 (unknown origin) assessed as inhibition of STAT4 phosphorylat... | 23668484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23668484 | 10.1021/jm400266t | Unchecked | 4 |
| 23668484 | 10.1021/jm400266t | Non-receptor tyrosine-protein kinase TYK2 | 2 |
Data from ChEMBL 36 via Core Engine