Compound Detail
CHEMBL4228766
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Basic Information
| ChEMBL ID | CHEMBL4228766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLSNEPFUAQBBFD-ONEGZZNKSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
4.42
ALogP
8
HBA
1
HBD
81.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.16 | 6.86 | 69.0 | 2 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of JAK2 (unknown origin) | 29293000 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 62.0 | nM | 7.21 | Inhibition of FLT3 (unknown origin) | 29293000 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 69.0 | nM | 7.16 | Inhibition of CSF1R (unknown origin) | 29293000 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of TYK2 (unknown origin) | 29293000 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 277.0 | nM | 6.56 | Inhibition of CSF1R signaling in human PBMC assessed as reduction in M-CSF-induc... | 29293000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29293000 | 10.1021/acs.jmedchem.7b00873 | Macrophage colony-stimulating factor 1 receptor | 2 |
| 29293000 | 10.1021/acs.jmedchem.7b00873 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 29293000 | 10.1021/acs.jmedchem.7b00873 | Tyrosine-protein kinase JAK2 | 1 |
| 29293000 | 10.1021/acs.jmedchem.7b00873 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine