Compound Detail
CHEMBL4061196
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CC(=O)N[C@H](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)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4061196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDOGZCJYQCJPQB-IFLLZMBLSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1013.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.16
Ki 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Proprotein convertase subtilisin/kexin type 6 CHEMBL2951 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 4.0 | nM | 8.4 | Inhibition of recombinant human furin expressed in drosophila S2 cells using pyr... | 28287731 |
| Proprotein convertase subtilisin/kexin type 6 | Ki | = | 5.0 | nM | 8.3 | Inhibition of recombinant human PACE4 expressed in drosophila S2 cells using pyr... | 28287731 |
| LNCaP | IC50 | = | 70000.0 | nM | 4.16 | Antiproliferative activity against human LNCAP cells assessed as reduction in me... | 28287731 |
| DU-145 | IC50 | = | 75000.0 | nM | 4.12 | Antiproliferative activity against human DU145 cells assessed as reduction in me... | 28287731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28287731 | 10.1021/acs.jmedchem.6b01499 | Proprotein convertase subtilisin/kexin type 6 | 1 |
| 28287731 | 10.1021/acs.jmedchem.6b01499 | Furin | 1 |
| 28287731 | 10.1021/acs.jmedchem.6b01499 | Unchecked | 1 |
| 28287731 | 10.1021/acs.jmedchem.6b01499 | DU-145 | 1 |
| 28287731 | 10.1021/acs.jmedchem.6b01499 | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine