Compound Detail
CHEMBL5806933
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CN(c1cnccc1CNc1nc(Nc2ccc3c(c2)OCCOCCOCCO3)nc2[nH]ncc12)S(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL5806933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLSARKHLSUEWOW-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
570.6
MW (Da)
2.30
ALogP
12
HBA
3
HBD
165.7
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 6.89 | 6.89 | 130.0 | 3 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 6.81 | 6.81 | 156.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 130.0 | nM | 6.89 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 130.0 | nM | 6.89 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 130.0 | nM | 6.89 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Focal adhesion kinase 1 | IC50 | = | 156.0 | nM | 6.81 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Focal adhesion kinase 1 | IC50 | = | 156.0 | nM | 6.81 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Focal adhesion kinase 1 | IC50 | = | 156.0 | nM | 6.81 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
Data from ChEMBL 36 via Core Engine