Compound Detail
CHEMBL2049157
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
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL2049157 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NSDBHCQEYZIMBX-QUQVWLGBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
843.1
MW (Da)
-2.49
ALogP
11
HBA
14
HBD
367.5
PSA (Ų)
0.02
QED
3
Ro5 Violations
30
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 1900.0 | nM | 5.72 | Inhibition of furin | 22682919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22682919 | 10.1016/j.bmc.2012.05.029 | Furin | 1 |
Data from ChEMBL 36 via Core Engine