Compound Detail
CHEMBL451882
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)Nc1ccc(N[C@H]2C[C@@H](NC(=N)N)[C@H](Oc3ccc(NC(=N)N)c4ccccc34)C[C@@H]2Oc2ccc(NC(=N)N)c3ccccc23)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL451882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZDIAOQOBLBMDP-IOVVEOIZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
737.9
MW (Da)
5.38
ALogP
7
HBA
13
HBD
278.1
PSA (Ų)
0.06
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 6.37 | 6.37 | 423.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 423.0 | nM | 6.37 | Inhibition of human recombinant furin-dependent anthrax protective antigen proce... | 18977558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18977558 | 10.1016/j.ejmech.2008.09.028 | Furin | 2 |
Data from ChEMBL 36 via Core Engine