Compound Detail
CHEMBL48639
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
C[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc4c(N(C)C)cccc34)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL48639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUJNKKUFEJYIOW-YORPTFRRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
591.7
MW (Da)
3.62
ALogP
7
HBA
0
HBD
124.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Capsid scaffolding protein CHEMBL3771 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Capsid scaffolding protein | IC50 | = | 41000.0 | nM | 4.39 | Tested in vitro for inhibitory activity against Protease | 12067545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12067545 | 10.1016/s0960-894x(02)00294-9 | Capsid scaffolding protein | 1 |
Data from ChEMBL 36 via Core Engine