Compound Detail
CHEMBL4107562
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
N#C[C@@H]1CS(=O)(=O)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL4107562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VONAFDGGTACLKB-QMTHXVAHSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
2.24
ALogP
7
HBA
2
HBD
130.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 8.7 | 8.1233 | 2.0 | 3 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.48 | 6.81 | 33.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 2.0 | nM | 8.7 | Biochemical HTRF Assay: The ability of compounds to inhibit the activity of JAK1... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 3.0 | nM | 8.52 | Biochemical HTRF Assay: The ability of compounds to inhibit the activity of JAK1... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 33.0 | nM | 7.48 | Biochemical HTRF Assay: The ability of compounds to inhibit the activity of JAK1... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 71.0 | nM | 7.15 | Biochemical HTRF Assay: The ability of compounds to inhibit the activity of JAK1... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 146.0 | nM | 6.84 | Biochemical HTRF Assay: The ability of compounds to inhibit the activity of JAK1... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 769.0 | nM | 6.11 | Biochemical HTRF Assay: The ability of compounds to inhibit the activity of JAK1... | - |
Data from ChEMBL 36 via Core Engine