Compound Detail
CHEMBL3126401
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CC(=O)NN(CCCNC(=N)N)CC(=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)NN(CCCNC(=N)N)CC(=O)N[C@H](C(N)=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL3126401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QODDQNZLKJSUEE-WZACZQKUSA-N |
3
Targets
4
Activities
2
Assay Types
2
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1298.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.68
Ki 2 meas. best 7.48
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 7.7 | hr | Mus musculus |
| T1/2 | 2.68 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Furin | Ki | = | 33.0 | nM | 7.48 | Competitive inhibition of recombinant furin (unknown origin) using as substrate ... | 24359257 |
| Furin | Ki | = | 46.0 | nM | 7.34 | Inhibition of furin (unknown origin) | 34340303 |
| Unchecked | IC50 | = | 20800.0 | nM | 4.68 | Inhibition of furin in African green monkey Vero cells assessed as protection ag... | 24359257 |
| Vero | IC50 | = | 20800.0 | nM | 4.68 | Protective activity against Escherichia coli O157:H7 Shiga toxin-induced cytotox... | 34340303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24359257 | 10.1021/jm400633d | Unchecked | 3 |
| 24359257 | 10.1021/jm400633d | Furin | 3 |
| 24359257 | 10.1021/jm400633d | No relevant target | 2 |
| 24359257 | 10.1021/jm400633d | ADMET | 2 |
| 34340303 | 10.1021/acs.jmedchem.1c00518 | ADMET | 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 | Vero | 1 |
Data from ChEMBL 36 via Core Engine