Compound Detail
CHEMBL2208032
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Basic Information
| ChEMBL ID | CHEMBL2208032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHNKBAKGYDFYFP-MRXNPFEDSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.01
ALogP
7
HBA
3
HBD
105.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.77 | 7.2 | 1.7 | 3 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.51 | 6.51 | 306.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 1.7 | nM | 8.77 | Inhibition of JAK2 | 23127890 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 306.8 | nM | 6.51 | Inhibition of JAK3 | 23127890 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 327.7 | nM | 6.49 | Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT1 phosphory... | 23127890 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 452.0 | nM | 6.34 | Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT3 phosphory... | 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