Compound Detail

CHEMBL5560867

Enter ChEMBL ID:

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

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5560867
Phase	Preclinical
Structure Type	MOL
InChI Key	YSMUYVVRQFHBLY-TZBIPIOFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1281.7

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C59H96N18O10S2
MW	1281.67

Activity Summary

IC50 3 meas. best 5.07

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Staphylococcus epidermidis CHEMBL353	IC50	5.07	5.07	8500.0	1
Escherichia coli CHEMBL354	IC50	4.49	4.49	32200.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Staphylococcus epidermidis	IC50	=	8500.0	nM	5.07	Antibacterial activity against Staphylococcus epidermidis assessed as reduction ...	38771638
Escherichia coli	IC50	=	32200.0	nM	4.49	Antibacterial activity against Escherichia coli assessed as reduction in bacteri...	38771638

Literature References

PubMed	DOI	Target Context	# Activities
38771638	10.1021/acs.jmedchem.4c00005	Escherichia coli	3
38771638	10.1021/acs.jmedchem.4c00005	Bacillus subtilis	3
38771638	10.1021/acs.jmedchem.4c00005	RAW264.7	3
38771638	10.1021/acs.jmedchem.4c00005	Staphylococcus epidermidis	2
38771638	10.1021/acs.jmedchem.4c00005	Unchecked	2
38771638	10.1021/acs.jmedchem.4c00005	No relevant target	1

Data from ChEMBL 36 via Core Engine