Compound Detail
CHEMBL2178260
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Basic Information
| ChEMBL ID | CHEMBL2178260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEWGMNBDVCHINA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.8
MW (Da)
2.49
ALogP
7
HBA
2
HBD
97.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 8.25 | 8.25 | 5.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 30.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 17.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | Ki | = | 5.6 | nM | 8.25 | Inhibition of purified JAK2 incubated for 30 mins | 23061660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23061660 | 10.1021/jm3012239 | Unchecked | 3 |
| 23061660 | 10.1021/jm3012239 | Liver microsomes | 2 |
| 23061660 | 10.1021/jm3012239 | No relevant target | 1 |
| 23061660 | 10.1021/jm3012239 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine