Compound Detail
CHEMBL3622829
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 | CHEMBL3622829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDNDTAMGJSUNJL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
1.68
ALogP
4
HBA
2
HBD
86.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 4.74 | 4.74 | 18200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of JAK3 (unknown origin) using 16 uM of ATP and Tyr6 peptide by Z'-LY... | 26351728 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of JAK2 (unknown origin) using 35 uM of ATP and Tyr6 peptide by Z'-LY... | 26351728 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of Tyk2 (unknown origin) using 25 uM of ATP and Tyr3 peptide by Z'-LY... | 26351728 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 18200.0 | nM | 4.74 | Inhibition of JAK1 (unknown origin) using 87 uM of ATP and Tyr6 peptide by Z'-LY... | 26351728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26351728 | 10.1021/acs.jmedchem.5b01263 | Unchecked | 3 |
| 26351728 | 10.1021/acs.jmedchem.5b01263 | Tyrosine-protein kinase JAK1 | 1 |
| 26351728 | 10.1021/acs.jmedchem.5b01263 | Tyrosine-protein kinase JAK2 | 1 |
| 26351728 | 10.1021/acs.jmedchem.5b01263 | Tyrosine-protein kinase JAK3 | 1 |
| 26351728 | 10.1021/acs.jmedchem.5b01263 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine