Compound Detail
CHEMBL1923575
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Basic Information
| ChEMBL ID | CHEMBL1923575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJIKTTNMNOTLSG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.99
ALogP
7
HBA
1
HBD
63.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.46 | 9.46 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.08333 | hr | Mus musculus |
| T1/2 | 0.1 | hr | Rattus norvegicus |
| T1/2 | 0.1333 | hr | Canis lupus familiaris |
| T1/2 | 0.15 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.35 | nM | 9.46 | Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEW... | 22041060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22041060 | 10.1016/j.bmcl.2011.10.032 | Liver | 2 |
| 22041060 | 10.1016/j.bmcl.2011.10.032 | Liver microsomes | 2 |
| 22041060 | 10.1016/j.bmcl.2011.10.032 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine