Compound Detail

CHEMBL502642

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL502642
Phase	Preclinical
Structure Type	BOTH
InChI Key	XIHRZTWKTVFWSV-HQSWAJDZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1424.7

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C58H113N29O13
MW	1424.73

Activity Summary

Ki 5 meas. best 7.64

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Furin CHEMBL2611	Ki	7.64	7.64	23.0	1
Proprotein convertase subtilisin/kexin type 7 CHEMBL2232	Ki	6.87	6.87	135.0	1
Proprotein convertase subtilisin/kexin type 6 CHEMBL5507	Ki	6.79	6.79	162.0	1
Proprotein convertase subtilisin/kexin type 5 CHEMBL2826	Ki	6.63	6.63	232.0	1
Proprotein convertase subtilisin/kexin type 4 CHEMBL4861	Ki	6.36	6.36	441.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Furin	Ki	=	23.0	nM	7.64	Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC subst...	17537721
Proprotein convertase subtilisin/kexin type 7	Ki	=	135.0	nM	6.87	Inhibition of human recombinant PC7 assessed as fluorescent Pyr-RTKR-AMC substra...	17537721
Proprotein convertase subtilisin/kexin type 6	Ki	=	162.0	nM	6.79	Inhibition of rat PACE4 assessed as fluorescent Pyr-RTKR-AMC substrate cleavage	17537721
Proprotein convertase subtilisin/kexin type 5	Ki	=	232.0	nM	6.63	Inhibition of human recombinant PC5/6 assessed as fluorescent Pyr-RTKR-AMC subst...	17537721
Proprotein convertase subtilisin/kexin type 4	Ki	=	441.0	nM	6.36	Inhibition of human recombinant PC4 assessed as fluorescent Pyr-RTKR-AMC substra...	17537721

Literature References

PubMed	DOI	Target Context	# Activities
17537721	10.1074/jbc.m703847200	Unchecked	3
17537721	10.1074/jbc.m703847200	Furin	2
17537721	10.1074/jbc.m703847200	Proprotein convertase subtilisin/kexin type 6	1
17537721	10.1074/jbc.m703847200	Proprotein convertase subtilisin/kexin type 4	1
17537721	10.1074/jbc.m703847200	Proprotein convertase subtilisin/kexin type 5	1
17537721	10.1074/jbc.m703847200	Proprotein convertase subtilisin/kexin type 7	1
17537721	10.1074/jbc.m703847200	Mus musculus	1
17537721	10.1074/jbc.m703847200	RAW264.7	1

Data from ChEMBL 36 via Core Engine