Compound Detail
CHEMBL500184
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C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL500184 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SPILXWOFMWMUJL-PDUKLPMLSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1599.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 7.42 | 7.42 | 38.0 | 1 |
| Proprotein convertase subtilisin/kexin type 6 CHEMBL5507 | Ki | 6.22 | 6.22 | 602.0 | 1 |
| Proprotein convertase subtilisin/kexin type 4 CHEMBL4861 | Ki | 6.11 | 6.11 | 772.0 | 1 |
| Proprotein convertase subtilisin/kexin type 5 CHEMBL2826 | Ki | 6.09 | 6.09 | 806.0 | 1 |
| Proprotein convertase subtilisin/kexin type 7 CHEMBL2232 | Ki | 5.95 | 5.95 | 1133.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 38.0 | nM | 7.42 | Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC subst... | 17537721 |
| Proprotein convertase subtilisin/kexin type 6 | Ki | = | 602.0 | nM | 6.22 | Inhibition of rat PACE4 assessed as fluorescent Pyr-RTKR-AMC substrate cleavage | 17537721 |
| Proprotein convertase subtilisin/kexin type 4 | Ki | = | 772.0 | nM | 6.11 | Inhibition of human recombinant PC4 assessed as fluorescent Pyr-RTKR-AMC substra... | 17537721 |
| Proprotein convertase subtilisin/kexin type 5 | Ki | = | 806.0 | nM | 6.09 | Inhibition of human recombinant PC5/6 assessed as fluorescent Pyr-RTKR-AMC subst... | 17537721 |
| Proprotein convertase subtilisin/kexin type 7 | Ki | = | 1133.0 | nM | 5.95 | Inhibition of human recombinant PC7 assessed as fluorescent Pyr-RTKR-AMC substra... | 17537721 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17537721 | 10.1074/jbc.m703847200 | Furin | 1 |
| 17537721 | 10.1074/jbc.m703847200 | Proprotein convertase subtilisin/kexin type 6 | 1 |
| 17537721 | 10.1074/jbc.m703847200 | Proprotein convertase subtilisin/kexin type 4 | 1 |
| 17537721 | 10.1074/jbc.m703847200 | Proprotein convertase subtilisin/kexin type 5 | 1 |
| 17537721 | 10.1074/jbc.m703847200 | Proprotein convertase subtilisin/kexin type 7 | 1 |
Data from ChEMBL 36 via Core Engine