Compound Detail
CHEMBL3650993
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
Basic Information
| ChEMBL ID | CHEMBL3650993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJBRIBWWNKAGEO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.23
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 10.48 | 10.48 | 0.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.87 | 6.87 | 134.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 0.033 | nM | 10.48 | HTRF Assay: The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3... | - |
| Unchecked | IC50 | = | 134.0 | nM | 6.87 | Inhibition of JAK/STAT signaling pathway in human CD4+ T cell assessed as inhibi... | 37738648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37738648 | 10.1021/acs.jmedchem.3c00554 | Unchecked | 8 |
| 37738648 | 10.1021/acs.jmedchem.3c00554 | Tyrosine-protein kinase JAK1 | 8 |
| 37738648 | 10.1021/acs.jmedchem.3c00554 | ADMET | 4 |
Data from ChEMBL 36 via Core Engine