Compound Detail
CHEMBL4078025
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
CCOc1nn(C)cc1Nc1ncc(F)c(-c2c[nH]c3c(NC(=O)[C@H](C)N4CCN(C)C[C@@H]4C)cccc23)n1
Basic Information
| ChEMBL ID | CHEMBL4078025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUIUFOLGSATLQM-IRXDYDNUSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
3.60
ALogP
9
HBA
3
HBD
116.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 5.12 | 5.12 | 7600.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of N-terminal GST fused human recombinant JAK1 (866 to 1154 amino aci... | 28626517 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 7600.0 | nM | 5.12 | JAK Enzymatic Assay: Enzyme inhibition studies were performed using recombinant ... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 7600.0 | nM | 5.12 | Enzyme Inhibition Studies: Enzyme inhibition studies were performed using recomb... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 7600.0 | nM | 5.12 | Enzyme Inhibition Assay: Enzyme inhibition studies were performed using recombin... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 7600.0 | nM | 5.12 | Enzyme Inhibition Assay: Enzyme inhibition studies were performed using recombin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28626517 | 10.1021/acsmedchemlett.7b00209 | Tyrosine-protein kinase JAK1 | 2 |
| 28626517 | 10.1021/acsmedchemlett.7b00209 | Unchecked | 1 |
| 28626517 | 10.1021/acsmedchemlett.7b00209 | Tyrosine-protein kinase JAK3 | 1 |
| 28626517 | 10.1021/acsmedchemlett.7b00209 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine