Compound Detail
CHEMBL4744236
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Cc1cnc(Nc2cc(F)c(C3CCN(C)CC3)c(F)c2)nc1Nc1ccc(F)c(NS(=O)(=O)C(C)(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL4744236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJTYYXRVQGLUFN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
562.7
MW (Da)
6.04
ALogP
7
HBA
3
HBD
99.2
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.09 | 8.09 | 8.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 8.2 | nM | 8.09 | Inhibition of human JAK2 by radiometric assay | 33570945 |
| Unchecked | IC50 | = | 150.0 | nM | 6.82 | Growth inhibition of human UKE-1 cells incubated for 72 hrs by Cell-titer blue a... | 33570945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33570945 | 10.1021/acs.jmedchem.0c01952 | Tyrosine-protein kinase JAK2 | 2 |
| 33570945 | 10.1021/acs.jmedchem.0c01952 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine