Compound Detail
CHEMBL2208033
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Basic Information
| ChEMBL ID | CHEMBL2208033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAJGNNIHYOWVDB-HXUWFJFHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
1.98
ALogP
8
HBA
4
HBD
125.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.57 | 6.88 | 2.7 | 3 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.8 | 6.8 | 159.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 2.7 | nM | 8.57 | Inhibition of JAK2 | 23127890 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 159.8 | nM | 6.8 | Inhibition of JAK3 | 23127890 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 621.7 | nM | 6.21 | Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT1 phosphory... | 23127890 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 1391.0 | nM | 5.86 | 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