Compound Detail
CHEMBL5209315
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1OC
Basic Information
| ChEMBL ID | CHEMBL5209315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKFGCLBLIUJSPT-FIBGUPNXSA-N |
| Parent Compound | CHEMBL5222812 |
| Active Moiety | CHEMBL5222812 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
566.6
MW (Da)
4.22
ALogP
9
HBA
4
HBD
150.5
PSA (Ų)
0.23
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of TYK2 in human Jurkat cells assessed as reduction in IFNalpha induc... | 36385928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36385928 | 10.1021/acsmedchemlett.2c00334 | Non-receptor tyrosine-protein kinase TYK2 | 3 |
| 36385928 | 10.1021/acsmedchemlett.2c00334 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine