Compound Detail
CHEMBL2179433
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CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL2179433 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZRPNBIQBZKYFRG-LSBAASHUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
711.9
MW (Da)
-2.73
ALogP
9
HBA
13
HBD
338.4
PSA (Ų)
0.03
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Proprotein convertase subtilisin/kexin type 6 CHEMBL2951 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 1200.0 | nM | 5.92 | Competitive inhibition of human recombinant furin expressed in Drosophila S2 cel... | 23126600 |
| Proprotein convertase subtilisin/kexin type 6 | Ki | = | 1600.0 | nM | 5.8 | Competitive inhibition of human recombinant PACE4 expressed in Drosophila S2 cel... | 23126600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23126600 | 10.1021/jm3011178 | Proprotein convertase subtilisin/kexin type 6 | 1 |
| 23126600 | 10.1021/jm3011178 | Furin | 1 |
| 23126600 | 10.1021/jm3011178 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine