Compound Detail
CHEMBL2178802
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Basic Information
| ChEMBL ID | CHEMBL2178802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVMZEFZVTUVVAV-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
2.27
ALogP
7
HBA
2
HBD
103.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Ki 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.16 | 7.16 | 68.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 22.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 11.0 | 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 | = | 1.6 | nM | 8.8 | Inhibition of purified JAK2 incubated for 30 mins | 23061660 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 68.6 | nM | 7.16 | Inhibition of JAK2 in human TF1 cells assessed as reduction in STAT5 phosphoryla... | 23061660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23061660 | 10.1021/jm3012239 | Unchecked | 3 |
| 23061660 | 10.1021/jm3012239 | Tyrosine-protein kinase JAK2 | 2 |
| 23061660 | 10.1021/jm3012239 | Liver microsomes | 2 |
| 23061660 | 10.1021/jm3012239 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine