Compound Detail
CHEMBL5203217
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(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3[C@H](C#N)C[C@@H]4C[C@@H]43)cc2)c1OC
Basic Information
| ChEMBL ID | CHEMBL5203217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTRBMJDIGONTMK-SIDYLUQLSA-N |
| Parent Compound | CHEMBL5222648 |
| Active Moiety | CHEMBL5222648 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
594.6
MW (Da)
3.32
ALogP
9
HBA
4
HBD
178.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 1.3 | nM | 8.89 | 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