Compound Detail
CHEMBL3651521
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
CC(C)(C)N1CCN(c2ccc(S(=O)(=O)[C@H]3CCN(c4nc(C#N)ncc4C(=O)NCC(F)(F)F)C3)c(Cl)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3651521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWXAIQACRDMYIK-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
614.1
MW (Da)
3.27
ALogP
9
HBA
1
HBD
122.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin S CHEMBL2954 | IC50 | 8.63 | 8.63 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin S | IC50 | = | 2.35 | nM | 8.63 | Enzyme Inhbition Assay: Enzyme activity is measured by observing the increase in... | - |
Data from ChEMBL 36 via Core Engine