Compound Detail

CHEMBL2028354

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Nc1nc(=O)c2c([nH]1)NCC(CCNc1ccc(C(=O)[O-])cc1)N2.[Na+]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2028354
Phase	Preclinical
Structure Type	MOL
InChI Key	UCCYYNOHYAYETG-UHFFFAOYSA-M
Parent Compound	CHEMBL2008421
Active Moiety	CHEMBL2008421

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

330.4

MW (Da)

0.76

ALogP

HBA

HBD

145.2

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Enterococcus faecium CHEMBL357	IC50	8.05	6.595	9.0	2
Lacticaseibacillus casei CHEMBL613075	IC50	6.7	5.96	200.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Enterococcus faecium	IC50	=	9.0	nM	8.05	Antibacterial activity against sensitive Streptococcus faecium ATCC 8043 assesse...	137981
Lacticaseibacillus casei	IC50	=	200.0	nM	6.7	Antibacterial activity against chlorguanide triazine-resistant Lactobacillus cas...	137981
Lacticaseibacillus casei	IC50	=	6000.0	nM	5.22	Antibacterial activity against sensitive Lactobacillus casei ATCC 7469 assessed ...	137981
Enterococcus faecium	IC50	=	7200.0	nM	5.14	Antibacterial activity against chlorguanide triazine-resistant Streptococcus fae...	137981

PubMed	DOI	Target Context	# Activities
137981	10.1021/jm00212a010	Enterococcus faecium	5
137981	10.1021/jm00212a010	Lacticaseibacillus casei	5
137981	10.1021/jm00212a010	NON-PROTEIN TARGET	2
137981	10.1021/jm00212a010	Plasmodium berghei	2

Data from ChEMBL 36 via Core Engine