Compound Detail
CHEMBL6032102
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CN([C@@H]1CCCC[C@H]1Oc1nc(Nc2ccc3c(c2)OCCOCCOCCO3)nc2[nH]ncc12)S(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL6032102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOMCHFVQYZKKTL-WOJBJXKFSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
562.6
MW (Da)
2.48
ALogP
11
HBA
2
HBD
150.0
PSA (Ų)
0.46
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 7.11 | 7.11 | 77.6 | 3 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 6.66 | 6.66 | 220.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | IC50 | = | 77.6 | nM | 7.11 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Focal adhesion kinase 1 | IC50 | = | 77.6 | nM | 7.11 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Focal adhesion kinase 1 | IC50 | = | 77.6 | nM | 7.11 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 220.0 | nM | 6.66 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 220.0 | nM | 6.66 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 220.0 | nM | 6.66 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
Data from ChEMBL 36 via Core Engine