Compound Detail
CHEMBL5997314
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(c1ncccc1CNc1nc(Nc2ccc(C(=O)NCC3(O)CCC3)cc2)ncc1C(F)(F)F)S(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL5997314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCIUXBRIWDETQP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
579.6
MW (Da)
3.29
ALogP
9
HBA
4
HBD
149.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | IC50 | = | 0.6 | nM | 9.22 | In Vitro Activity Assay: The in vitro activity of the compounds of the compounds... | - |
Data from ChEMBL 36 via Core Engine