Compound Detail
CHEMBL2207761
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Basic Information
| ChEMBL ID | CHEMBL2207761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWRXOIAKTAXUHC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
4.64
ALogP
5
HBA
3
HBD
96.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.98 | 6.035 | 104.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 104.0 | nM | 6.98 | Inhibition of JAK2 | 23127890 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 8138.0 | nM | 5.09 | Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT1 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 | No relevant target | 1 |
| 23127890 | 10.1016/j.bmcl.2012.10.007 | Unchecked | 1 |
| 23127890 | 10.1016/j.bmcl.2012.10.007 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine