Compound Detail

CHEMBL2371657

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CN(C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2371657
Phase	Preclinical
Structure Type	BOTH
InChI Key	WBBTXKGNCKTYFN-LRPAPJADSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1124.3

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C55H77N15O11
MW	1124.31

Activity Summary

IC50 4 meas. best 9.96

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	9.96	8.54	0.1	4

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	0.11	nM	9.96	Inhibitory activity against high affinity binding site of Bradykinin receptor in...	8632416
Unchecked	IC50	=	1.0	nM	9.0	Inhibitory activity against high affinity binding site of Bradykinin receptor in...	8632416
Unchecked	IC50	=	4.8	nM	8.32	Inhibitory activity against low affinity binding site of Bradykinin receptor in ...	8632416
Unchecked	IC50	=	132.0	nM	6.88	Inhibitory activity against low affinity binding site of Bradykinin receptor in ...	8632416

Literature References

PubMed	DOI	Target Context	# Activities
8632416	10.1021/jm9301954	Unchecked	5
8632416	10.1021/jm9301954	Cavia porcellus	2
8632416	10.1021/jm9301954	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine