Compound Detail
CHEMBL2179438
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CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=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 | CHEMBL2179438 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZOSNPKYKQJPYEO-COLZCUKVSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1051.4
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 2 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 6 CHEMBL2951 | Ki | 5.86 | 5.86 | 1380.0 | 1 |
| Furin CHEMBL2611 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 6 | Ki | = | 1380.0 | nM | 5.86 | Competitive inhibition of human recombinant PACE4 expressed in Drosophila S2 cel... | 23126600 |
| Furin | Ki | = | 2600.0 | nM | 5.58 | Competitive inhibition of human recombinant furin expressed in Drosophila S2 cel... | 23126600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23126600 | 10.1021/jm3011178 | Furin | 1 |
| 23126600 | 10.1021/jm3011178 | Proprotein convertase subtilisin/kexin type 6 | 1 |
| 23126600 | 10.1021/jm3011178 | DU-145 | 1 |
| 23126600 | 10.1021/jm3011178 | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine