Compound Detail

CHEMBL5592498

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CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5592498
Phase	Preclinical
Structure Type	MOL
InChI Key	JUNVWCSBXLLHHH-ZFXUORIWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3823.6

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C171H297N57O42
MW	3823.61

Activity Summary

IC50 1 meas. best 4.31

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Erythrocyte CHEMBL4296518	IC50	4.31	4.31	49000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Erythrocyte	IC50	=	49000.0	nM	4.31	Hemolytic activity against human RBC incubated for 1 hr by microplate reader ana...	39116273

Literature References

PubMed	DOI	Target Context	# Activities
39116273	10.1021/acs.jmedchem.4c00912	Lipid bilayer	1
39116273	10.1021/acs.jmedchem.4c00912	Escherichia coli	1
39116273	10.1021/acs.jmedchem.4c00912	Staphylococcus carnosus	1
39116273	10.1021/acs.jmedchem.4c00912	Erythrocyte	1

Data from ChEMBL 36 via Core Engine