Compound Detail
CHEMBL4237970
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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(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCCc1c[nH]c2ccccc12)c1ccc(C(=N)N)cc1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4237970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWQVIEIXGMBAOD-RCXOJSRJSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1440.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.4
Ki 2 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 6 CHEMBL2951 | Ki | 6.61 | 6.61 | 248.0 | 1 |
| Furin CHEMBL2611 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 6 | Ki | = | 248.0 | nM | 6.61 | Inhibition of recombinant human PACE4 expressed in S2 insect cells using pyroGlu... | 30180568 |
| Furin | Ki | = | 3000.0 | nM | 5.52 | Inhibition of recombinant human furin expressed in S2 insect cells using pyroGlu... | 30180568 |
| DU-145 | IC50 | = | 40000.0 | nM | 4.4 | Antiproliferative activity against human DU145 cells after 72 hrs by MTT assay | 30180568 |
| LNCaP | IC50 | = | 70000.0 | nM | 4.16 | Antiproliferative activity against human LNCAP cells after 72 hrs by MTT assay | 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