Compound Detail
CHEMBL3642411
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
CS(=O)(=O)CCN1CCC(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3642411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAUHRGCAUAQDDS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
3.77
ALogP
9
HBA
1
HBD
113.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.34 | 9.34 | 0.5 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.56 | 7.56 | 27.3 | 1 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 6.24 | 6.24 | 580.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.46 | nM | 9.34 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 27.33 | nM | 7.56 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
| Focal adhesion kinase 1 | IC50 | = | 580.33 | nM | 6.24 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
Data from ChEMBL 36 via Core Engine