Compound Detail
CHEMBL5798893
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C[C@H](N)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3ncccc3N(C)S(C)(=O)=O)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL5798893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRPARVPNVHUBQG-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
3.66
ALogP
8
HBA
3
HBD
126.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 9.23 | 9.23 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | IC50 | = | 0.593 | nM | 9.23 | In Vitro Activity Assay: The in vitro activity of the compounds of the compounds... | - |
Data from ChEMBL 36 via Core Engine