Compound Detail
CHEMBL2385101
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Basic Information
| ChEMBL ID | CHEMBL2385101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXFJWPFETFMXPR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.3
MW (Da)
3.77
ALogP
5
HBA
3
HBD
112.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 7.96 | 7.96 | 10.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 10.9 | nM | 7.96 | Inhibition of TYK2 (unknown origin) | 23668484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23668484 | 10.1021/jm400266t | Unchecked | 2 |
| 23668484 | 10.1021/jm400266t | No relevant target | 1 |
| 23668484 | 10.1021/jm400266t | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine