Compound Detail
CHEMBL2208035
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
O=C1CC[C@H](C(=O)Nc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)N1
Basic Information
| ChEMBL ID | CHEMBL2208035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXJKIKRRWDOPDO-JOCHJYFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
2.94
ALogP
7
HBA
3
HBD
108.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.21 | 7.21 | 61.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of JAK2 | 23127890 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 61.7 | nM | 7.21 | Inhibition of JAK3 | 23127890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23127890 | 10.1016/j.bmcl.2012.10.007 | Tyrosine-protein kinase JAK2 | 3 |
| 23127890 | 10.1016/j.bmcl.2012.10.007 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine