Compound Detail
CHEMBL2179430
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CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2179430 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CMGVCQGZBHZPRG-BMGWUDNWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
912.2
MW (Da)
-3.66
ALogP
12
HBA
18
HBD
449.6
PSA (Ų)
0.02
QED
3
Ro5 Violations
33
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 6 CHEMBL2951 | Ki | 9.47 | 9.47 | 0.3 | 1 |
| Furin CHEMBL2611 | Ki | 7.91 | 7.91 | 12.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 6 | Ki | = | 0.34 | nM | 9.47 | Competitive inhibition of human recombinant PACE4 expressed in Drosophila S2 cel... | 23126600 |
| Furin | Ki | = | 12.4 | nM | 7.91 | Competitive inhibition of human recombinant furin expressed in Drosophila S2 cel... | 23126600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23126600 | 10.1021/jm3011178 | Unchecked | 1 |
| 23126600 | 10.1021/jm3011178 | Furin | 1 |
| 23126600 | 10.1021/jm3011178 | Proprotein convertase subtilisin/kexin type 6 | 1 |
Data from ChEMBL 36 via Core Engine