Compound Detail
CHEMBL3126396
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CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL3126396 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NOQKKGLLEPBIAP-CIFQRKFTSA-N |
1
Targets
4
Activities
1
Assay Types
6
PK Parameters
17
Publications
0
Known Names
Molecular Properties
1268.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 7.82 | 7.715 | 15.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 10.0 | hr | Homo sapiens |
| T1/2 | 8.0 | hr | Homo sapiens |
| T1/2 | 4.0 | hr | - |
| T1/2 | 3.7 | hr | Mus musculus |
| T1/2 | 0.059 | hr | Mus musculus |
| T1/2 | 1.7 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 15.0 | nM | 7.82 | Inhibition of recombinant soluble human furin using pyroGlu-Arg-Thr-Lys-Arg-meth... | 33738063 |
| Furin | Ki | = | 19.0 | nM | 7.72 | Inhibition of furin (unknown origin) | 34340303 |
| Furin | Ki | = | 19.0 | nM | 7.72 | Inhibition of recombinant human furin protease | 34340303 |
| Furin | Ki | = | 25.0 | nM | 7.6 | Competitive inhibition of recombinant furin (unknown origin) using as substrate ... | 24359257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24359257 | 10.1021/jm400633d | No relevant target | 5 |
| 24359257 | 10.1021/jm400633d | Furin | 3 |
| 24359257 | 10.1021/jm400633d | Unchecked | 3 |
| 34340303 | 10.1021/acs.jmedchem.1c00518 | ADMET | 2 |
| 24359257 | 10.1021/jm400633d | ADMET | 2 |
| 34340303 | 10.1021/acs.jmedchem.1c00518 | Furin | 2 |
| 24359257 | 10.1021/jm400633d | DU-145 | 2 |
| 34340303 | 10.1021/acs.jmedchem.1c00518 | Vero | 1 |
| 33738063 | 10.1021/acsmedchemlett.0c00386 | ADMET | 1 |
| 33738063 | 10.1021/acsmedchemlett.0c00386 | Proprotein convertase subtilisin/kexin type 7 | 1 |
| 33738063 | 10.1021/acsmedchemlett.0c00386 | Proprotein convertase subtilisin/kexin type 5 | 1 |
| 33738063 | 10.1021/acsmedchemlett.0c00386 | Proprotein convertase subtilisin/kexin type 6 | 1 |
| 33738063 | 10.1021/acsmedchemlett.0c00386 | Furin | 1 |
| 24359257 | 10.1021/jm400633d | Plasma | 1 |
| 24359257 | 10.1021/jm400633d | Mus musculus | 1 |
| 24359257 | 10.1021/jm400633d | A549 | 1 |
| 24359257 | 10.1021/jm400633d | MDCK | 1 |
Data from ChEMBL 36 via Core Engine