Compound Detail

CHEMBL3272427

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CN1CCCCC1CNc1nc(-c2ccc(Cl)c(Cl)c2)nc(C(Cl)(Cl)Cl)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3272427
Phase	Preclinical
Structure Type	MOL
InChI Key	HKEPPBSAECZRMA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

469.6

MW (Da)

5.57

ALogP

HBA

HBD

53.9

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 5.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Lacticaseibacillus casei CHEMBL613075	IC50	5.52	5.51	3000.0	2
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.42	5.365	3800.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lacticaseibacillus casei	IC50	=	3000.0	nM	5.52	Antibacterial activity against sensitive Lactobacillus casei ATCC 7469 assessed ...	137981
Lacticaseibacillus casei	IC50	=	3200.0	nM	5.5	Antibacterial activity against chlorguanide triazine-resistant Lactobacillus cas...	137981
NON-PROTEIN TARGET	IC50	=	3800.0	nM	5.42	Antibacterial activity against chlorguanide triazine-resistant Pediococcus cerev...	137981
NON-PROTEIN TARGET	IC50	=	4900.0	nM	5.31	Antibacterial activity against sensitive Pediococcus cerevisiae ATCC 808 assesse...	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	4
137981	10.1021/jm00212a010	Plasmodium berghei	2
137981	10.1021/jm00212a010	Unchecked	1

Data from ChEMBL 36 via Core Engine