Compound Detail
CHEMBL490273
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N=C(N)Nc1ccc(O[C@@H]2C[C@H](Oc3ccc(NC(=N)N)cc3NC(=N)N)[C@@H](NC(=N)N)C[C@H]2NC(=N)N)cc1
Basic Information
| ChEMBL ID | CHEMBL490273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCNHRISMJPPGNI-ATLSCFEFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
553.6
MW (Da)
-0.71
ALogP
7
HBA
15
HBD
328.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 7.05 | 7.05 | 89.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 89.0 | nM | 7.05 | 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