Compound Detail
CHEMBL187345
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Basic Information
| ChEMBL ID | CHEMBL187345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWEKAQYXDFMHKY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
1.58
ALogP
7
HBA
3
HBD
128.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Kd | 4.78 | 4.78 | 16700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | Kd | = | 16700.0 | nM | 4.78 | Binding affinity to wild type human C-terminal thrombin cleavage site-fused/ 6xH... | 32329617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974571 | 10.1021/jm050267e | Cyclin-dependent kinase 1/cyclin B | 1 |
| 32329617 | 10.1021/acs.jmedchem.0c00192 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine