Compound Detail
CHEMBL3115771
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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)NCc1ccc(C(=N)N)cc1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL3115771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFNWIBYSOUCSGW-FVMQRRFMSA-N |
6
Targets
7
Activities
2
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1027.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.62
IC50 3 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuroendocrine convertase 2 CHEMBL2433 | Ki | 9.62 | 9.62 | 0.2 | 1 |
| Proprotein convertase subtilisin/kexin type 6 CHEMBL2951 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| Furin CHEMBL2611 | Ki | 8.37 | 8.37 | 4.3 | 1 |
| Proprotein convertase subtilisin/kexin type 7 CHEMBL2232 | Ki | 7.86 | 7.86 | 13.8 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 12.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuroendocrine convertase 2 | Ki | = | 0.24 | nM | 9.62 | Inhibition of human PC2 expressed in drosophila schneider 2 cells using pyroGlu-... | 24350995 |
| Proprotein convertase subtilisin/kexin type 6 | Ki | = | 3.1 | nM | 8.51 | Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells ... | 24350995 |
| Furin | Ki | = | 4.3 | nM | 8.37 | Inhibition of human recombinant furin expressed in drosophila schneider 2 cells ... | 24350995 |
| Proprotein convertase subtilisin/kexin type 7 | Ki | = | 13.8 | nM | 7.86 | Inhibition of human PC7 expressed in drosophila schneider 2 cells using pyroGlu-... | 24350995 |
| DU-145 | IC50 | = | 25000.0 | nM | 4.6 | Cytotoxicity against human DU145 cells after 72 hrs by MTT assay | 24350995 |
| LNCaP | IC50 | = | 40000.0 | nM | 4.4 | Cytotoxicity against human LNCAP cells after 72 hrs by MTT assay | 24350995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24350995 | 10.1021/jm401457n | DU-145 | 2 |
| 24350995 | 10.1021/jm401457n | Plasma | 2 |
| 24350995 | 10.1021/jm401457n | PC-3 | 1 |
| 24350995 | 10.1021/jm401457n | LNCaP | 1 |
| 24350995 | 10.1021/jm401457n | Neuroendocrine convertase 2 | 1 |
| 24350995 | 10.1021/jm401457n | Proprotein convertase subtilisin/kexin type 7 | 1 |
| 24350995 | 10.1021/jm401457n | Furin | 1 |
| 24350995 | 10.1021/jm401457n | Proprotein convertase subtilisin/kexin type 6 | 1 |
Data from ChEMBL 36 via Core Engine