Compound Detail
CHEMBL585927
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CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Basic Information
| ChEMBL ID | CHEMBL585927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSTDNBAORRODRL-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
523.5
MW (Da)
4.88
ALogP
9
HBA
2
HBD
116.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.0
IC50 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-tyrosine kinase 2-beta CHEMBL1075289 | EC50 | 8.0 | 8.0 | 10.0 | 3 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 7.46 | 7.21 | 35.0 | 2 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-tyrosine kinase 2-beta | EC50 | = | 10.0 | nM | 8.0 | Inhibition of mouse Pyk2 in MC3TC3 cells assessed as increase in alkaline phosph... | 19648005 |
| Protein-tyrosine kinase 2-beta | EC50 | = | 10.0 | nM | 8.0 | Inhibition of mouse Pyk2 in MC3TC3 cells assessed as increase in osteocalcin lev... | 19648005 |
| Protein-tyrosine kinase 2-beta | EC50 | = | 10.0 | nM | 8.0 | Inhibition of mouse Pyk2 in MC3TC3 cells assessed as increase in calcium level | 19648005 |
| Protein-tyrosine kinase 2-beta | IC50 | = | 35.0 | nM | 7.46 | Inhibition of human Pyk2 by HTRF assay | 19648005 |
| Protein-tyrosine kinase 2-beta | IC50 | = | 110.0 | nM | 6.96 | Inhibition of human PyK2 Y402 autophosphorylation expressed in 293T cells by imm... | 19648005 |
| Focal adhesion kinase 1 | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of human FAK by HTRF assay | 19648005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19648005 | 10.1016/j.bmcl.2009.07.084 | Protein-tyrosine kinase 2-beta | 9 |
| 19648005 | 10.1016/j.bmcl.2009.07.084 | Focal adhesion kinase 1 | 1 |
| 19648005 | 10.1016/j.bmcl.2009.07.084 | Tyrosine-protein kinase JAK1 | 1 |
| 19648005 | 10.1016/j.bmcl.2009.07.084 | Tyrosine-protein kinase JAK2 | 1 |
| 19648005 | 10.1016/j.bmcl.2009.07.084 | Tyrosine-protein kinase JAK3 | 1 |
| 19648005 | 10.1016/j.bmcl.2009.07.084 | Eukaryotic translation initiation factor 2-alpha kinase 3 | 1 |
| 19648005 | 10.1016/j.bmcl.2009.07.084 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 19648005 | 10.1016/j.bmcl.2009.07.084 | Interferon-induced, double-stranded RNA-activated protein kinase | 1 |
| 19648005 | 10.1016/j.bmcl.2009.07.084 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine