Compound Detail
CHEMBL5925613
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN([C@@H]1CCCC[C@H]1Oc1nc(Nc2ccc3c(c2)OCCOCCOCCO3)nc2[nH]ccc12)S(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL5925613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJFVHSHISHMZHZ-NHCUHLMSSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
561.7
MW (Da)
3.09
ALogP
10
HBA
2
HBD
137.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 7.46 | 7.46 | 34.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | IC50 | = | 34.9 | nM | 7.46 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Focal adhesion kinase 1 | IC50 | = | 34.9 | nM | 7.46 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Focal adhesion kinase 1 | IC50 | = | 34.9 | nM | 7.46 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
Data from ChEMBL 36 via Core Engine