Compound Detail
CHEMBL4567809
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CN(c1cccc(CNc2nc(Nc3ccc(OCCCOCCC(=O)NCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL4567809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATTMBNXPUWOYNQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
896.9
MW (Da)
4.02
ALogP
14
HBA
4
HBD
227.6
PSA (Ų)
0.07
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 7.95 | 7.95 | 11.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | IC50 | = | 11.3 | nM | 7.95 | Inhibition of human recombinant FAK using poly[Glu:Tyr] (4:1) substrate in prese... | 32292541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32292541 | 10.1021/acsmedchemlett.0c00096 | Unchecked | 2 |
| 32292541 | 10.1021/acsmedchemlett.0c00096 | Focal adhesion kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine