Compound Detail
CHEMBL2414557
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Basic Information
| ChEMBL ID | CHEMBL2414557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHBDHHUATHARRH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.8
MW (Da)
3.40
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Ki 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 7.22 | 7.22 | 59.7 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.85 | 6.85 | 142.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | Ki | = | 59.7 | nM | 7.22 | Inhibition of JAK2 (unknown origin) | 23870430 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 142.0 | nM | 6.85 | Inhibition of human recombinant JAK1 | 25369270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23870430 | 10.1016/j.bmcl.2013.06.008 | Unchecked | 3 |
| 25369270 | 10.1021/jm501262q | Unchecked | 3 |
| 23870430 | 10.1016/j.bmcl.2013.06.008 | Tyrosine-protein kinase JAK2 | 1 |
| 25369270 | 10.1021/jm501262q | Tyrosine-protein kinase JAK1 | 1 |
Data from ChEMBL 36 via Core Engine