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Compound Detail

CHEMBL5207759

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N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)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](CCCNC(=N)N)C(=O)N1)C(=O)NCc1ccc(C(=N)N)cc1

Basic Information

ChEMBL ID CHEMBL5207759
Phase Preclinical
Structure Type MOL
InChI Key YFFXEHFGDIXZLB-MVLCJGSFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1484.8
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C70H105N27O10
MW 1484.79

Activity Summary

Ki 1 meas. best 10.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Furin
CHEMBL2611
Ki 10.27 10.27 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Furin Ki = 0.0538 nM 10.27 Inhibition of furin (unknown origin) 34340303

Literature References

PubMed DOI Target Context # Activities
34340303 10.1021/acs.jmedchem.1c00518 Furin 1

Data from ChEMBL 36 via Core Engine