Compound Detail
CHEMBL2049155
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
CCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(C(=N)N)cc1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL2049155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILYCGYSHJAWRHL-YCVJPRETSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
672.9
MW (Da)
2.55
ALogP
7
HBA
10
HBD
254.2
PSA (Ų)
0.04
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 3.3 | nM | 8.48 | 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