Compound Detail
CHEMBL5745094
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CN([C@@H]1c2ccccc2C[C@H]1Oc1nc(Nc2ccc3c(c2)OCCOCCOCCO3)ncc1C(F)(F)F)S(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL5745094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCZQXHQZANIUQP-JWQCQUIFSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
624.6
MW (Da)
3.98
ALogP
10
HBA
1
HBD
121.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 8.3 | 8.3 | 5.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | IC50 | = | 4.96 | nM | 8.3 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Focal adhesion kinase 1 | IC50 | = | 4.96 | nM | 8.3 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Focal adhesion kinase 1 | IC50 | = | 4.96 | nM | 8.3 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
Data from ChEMBL 36 via Core Engine