Compound Detail
CHEMBL506831
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N=C(N)Nc1cccc(NC(=O)O[C@H]2C[C@@H](OC(=O)Nc3cccc(NC(=N)N)c3)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)c1
Basic Information
| ChEMBL ID | CHEMBL506831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTXMRELRWRCVAB-USTZCAOPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
582.6
MW (Da)
0.33
ALogP
8
HBA
14
HBD
324.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 5.75 | 5.75 | 1768.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 1768.0 | nM | 5.75 | 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