Compound Detail
CHEMBL2207764
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Basic Information
| ChEMBL ID | CHEMBL2207764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJLSAFWTHWLPPK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.4
MW (Da)
6.40
ALogP
5
HBA
3
HBD
96.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.9 | 6.7733 | 12.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 12.6 | nM | 7.9 | Inhibition of JAK2 | 23127890 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 505.0 | nM | 6.3 | Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT3 phosphory... | 23127890 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 763.0 | nM | 6.12 | 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 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine