Compound Detail

CHEMBL5584167

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

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5584167
Phase	Preclinical
Structure Type	MOL
InChI Key	OXNLPRALHLLFHB-MNZBTACHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3753.6

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C174H303N49O42
MW	3753.64

Activity Summary

IC50 3 meas. best 5.16

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HaCaT CHEMBL614392	IC50	5.16	5.16	7000.0	1
A549 CHEMBL392	IC50	5.0	5.0	10000.0	1
RAW264.7 CHEMBL612557	IC50	4.44	4.44	36000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HaCaT	IC50	=	7000.0	nM	5.16	Cytotoxicity against human HaCaT cells incubated for 24 hrs by MTT assay	39116273
A549	IC50	=	10000.0	nM	5.0	Cytotoxicity against human A549 cells incubated for 24 hrs by MTT assay	39116273
RAW264.7	IC50	=	36000.0	nM	4.44	Cytotoxicity against mouse RAW264.7 cells incubated for 24 hrs by MTT assay	39116273

Literature References

PubMed	DOI	Target Context	# Activities
39116273	10.1021/acs.jmedchem.4c00912	Staphylococcus aureus	5
39116273	10.1021/acs.jmedchem.4c00912	Escherichia coli	2
39116273	10.1021/acs.jmedchem.4c00912	ADMET	2
39116273	10.1021/acs.jmedchem.4c00912	Lipid bilayer	1
39116273	10.1021/acs.jmedchem.4c00912	Staphylococcus carnosus	1
39116273	10.1021/acs.jmedchem.4c00912	Erythrocyte	1
39116273	10.1021/acs.jmedchem.4c00912	HaCaT	1
39116273	10.1021/acs.jmedchem.4c00912	A549	1
39116273	10.1021/acs.jmedchem.4c00912	RAW264.7	1

Data from ChEMBL 36 via Core Engine