Compound Detail
CHEMBL4245293
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CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4245293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIQLTFVNXFEDJV-GMIRWQTLSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1182.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.5
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 6 CHEMBL2951 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Furin CHEMBL2611 | Ki | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 6 | Ki | = | 32.0 | nM | 7.5 | Inhibition of recombinant human PACE4 expressed in S2 insect cells using pyroGlu... | 30180568 |
| Furin | Ki | = | 170.0 | nM | 6.77 | Inhibition of recombinant human furin expressed in S2 insect cells using pyroGlu... | 30180568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30180568 | 10.1021/acs.jmedchem.8b01144 | Proprotein convertase subtilisin/kexin type 6 | 1 |
| 30180568 | 10.1021/acs.jmedchem.8b01144 | Furin | 1 |
| 30180568 | 10.1021/acs.jmedchem.8b01144 | Unchecked | 1 |
| 30180568 | 10.1021/acs.jmedchem.8b01144 | LNCaP | 1 |
| 30180568 | 10.1021/acs.jmedchem.8b01144 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine