Compound Detail
CHEMBL4475907
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Basic Information
| ChEMBL ID | CHEMBL4475907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQFUBCAVNORBSG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
1.33
ALogP
8
HBA
4
HBD
158.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Kd | 5.33 | 5.33 | 4700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | Kd | = | 4700.0 | nM | 5.33 | Binding affinity to wild type human C-terminal thrombin cleavage site-fused/ 6xH... | 32329617 |
| Tyrosine-protein kinase JAK2 | Kd | = | 4700.0 | nM | 5.33 | Binding affinity to JAK2 JH2 (unknown origin) assessed as dissociation constant | 37578217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32329617 | 10.1021/acs.jmedchem.0c00192 | Tyrosine-protein kinase JAK2 | 1 |
| 37578217 | 10.1021/acs.jmedchem.3c00926 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine