Compound Detail
CHEMBL3896068
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#CCC1(n2cc(C(N)=O)c(Nc3ccc(-c4cn[nH]c4)nc3)n2)CCN(C(=O)OCC(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL3896068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFIWMJZBAJUSCH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
2.91
ALogP
9
HBA
3
HBD
167.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 11.0 | 11.0 | 0.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 0.01 | nM | 11.0 | HTRF Biochemical Assay: The reactions employed a common peptide substrate, LCB-E... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.6 | nM | 9.22 | HTRF Biochemical Assay: The reactions employed a common peptide substrate, LCB-E... | - |
Data from ChEMBL 36 via Core Engine