Compound Detail
CHEMBL3126399
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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)NCc1ccc(C(=N)N)cc1
Basic Information
| ChEMBL ID | CHEMBL3126399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFJBLMMPANHNRF-KHLMYIKTSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1143.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Furin CHEMBL2611 | Ki | 8.72 | 8.57 | 1.9 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 8.6 | hr | Mus musculus |
| T1/2 | 9.1 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 1.9 | nM | 8.72 | Competitive inhibition of recombinant furin (unknown origin) using as substrate ... | 24359257 |
| Furin | Ki | = | 3.8 | nM | 8.42 | Inhibition of furin (unknown origin) | 34340303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24359257 | 10.1021/jm400633d | ADMET | 2 |
| 24359257 | 10.1021/jm400633d | Unchecked | 2 |
| 24359257 | 10.1021/jm400633d | Furin | 2 |
| 24359257 | 10.1021/jm400633d | Mus musculus | 1 |
| 24359257 | 10.1021/jm400633d | Plasma | 1 |
| 34340303 | 10.1021/acs.jmedchem.1c00518 | Furin | 1 |
| 34340303 | 10.1021/acs.jmedchem.1c00518 | ADMET | 1 |
| 34340303 | 10.1021/acs.jmedchem.1c00518 | Vero | 1 |
Data from ChEMBL 36 via Core Engine