Compound Detail
CHEMBL2049164
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
N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2049164 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | QVVDVENEPNODSI-BTNSXGMBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
955.1
MW (Da)
-7.60
ALogP
13
HBA
25
HBD
580.2
PSA (Ų)
0.02
QED
3
Ro5 Violations
35
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 6.94 | 6.94 | 114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 114.0 | nM | 6.94 | 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