Compound Detail
CHEMBL2179834
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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 | CHEMBL2179834 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZOSNPKYKQJPYEO-OZKMNFSDSA-N |
3
Targets
9
Activities
2
Assay Types
1
PK Parameters
14
Publications
0
Known Names
Molecular Properties
1051.4
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.16
Ki 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 6 CHEMBL2951 | Ki | 7.62 | 7.62 | 24.0 | 2 |
| Furin CHEMBL2611 | Ki | 6.12 | 6.12 | 760.0 | 2 |
| DU-145 CHEMBL613508 | IC50 | 4.16 | 4.16 | 70000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 8.6 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 6 | Ki | = | 24.0 | nM | 7.62 | Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells ... | 24350995 |
| Proprotein convertase subtilisin/kexin type 6 | Ki | = | 24.0 | nM | 7.62 | Inhibition of recombinant human PACE4 using pGlu-Arg-Thr-Lys-Arg-AMC peptide as ... | 30501188 |
| Furin | Ki | = | 760.0 | nM | 6.12 | Inhibition of human recombinant furin expressed in drosophila schneider 2 cells ... | 24350995 |
| Furin | Ki | = | 760.0 | nM | 6.12 | Inhibition of recombinant human furin using pGlu-Arg-Thr-Lys-Arg-AMC peptide as ... | 30501188 |
| DU-145 | IC50 | = | 70000.0 | nM | 4.16 | Cytotoxicity against human DU145 cells after 72 hrs by MTT assay | 24350995 |
| DU-145 | IC50 | = | 70000.0 | nM | 4.16 | Antiproliferative activity against human DU145 cells after 72 hrs by MTT assay | 30501188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23126600 | 10.1021/jm3011178 | LNCaP | 10 |
| 24350995 | 10.1021/jm401457n | DU-145 | 3 |
| 24350995 | 10.1021/jm401457n | Plasma | 2 |
| 23126600 | 10.1021/jm3011178 | ADMET | 1 |
| 24350995 | 10.1021/jm401457n | PC-3 | 1 |
| 24350995 | 10.1021/jm401457n | LNCaP | 1 |
| 24350995 | 10.1021/jm401457n | Unchecked | 1 |
| 24350995 | 10.1021/jm401457n | Furin | 1 |
| 24350995 | 10.1021/jm401457n | Proprotein convertase subtilisin/kexin type 6 | 1 |
| 30501188 | 10.1021/acs.jmedchem.8b01381 | LNCaP | 1 |
| 30501188 | 10.1021/acs.jmedchem.8b01381 | DU-145 | 1 |
| 30501188 | 10.1021/acs.jmedchem.8b01381 | Unchecked | 1 |
| 30501188 | 10.1021/acs.jmedchem.8b01381 | Furin | 1 |
| 30501188 | 10.1021/acs.jmedchem.8b01381 | Proprotein convertase subtilisin/kexin type 6 | 1 |
Data from ChEMBL 36 via Core Engine