Compound Detail

CHEMBL4441386

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NC[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4441386
Phase	Preclinical
Structure Type	MOL
InChI Key	QYJAMZIYSAXKFZ-KNKSKROOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

599.6

MW (Da)

-7.83

ALogP

HBA

HBD

327.1

PSA (Å²)

0.12

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.1

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Ribosomal RNA A-site CHEMBL614640	IC50	7.1	7.1	80.0	1
Unchecked CHEMBL612545	IC50	4.31	4.31	49110.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Ribosomal RNA A-site	IC50	=	80.0	nM	7.1	Binding affinity to 16S rRNA A-site in Escherichia coli S30 extract assessed as ...	27509271
Unchecked	IC50	=	49110.0	nM	4.31	Inhibition of cytosolic eukaryotic translation in rabbit reticulocyte S30 extrac...	27509271

PubMed	DOI	Target Context	# Activities
27509271	10.1021/acs.jmedchem.6b00793	Klebsiella pneumoniae	3
27509271	10.1021/acs.jmedchem.6b00793	Pseudomonas aeruginosa	2
27509271	10.1021/acs.jmedchem.6b00793	Haemophilus influenzae	2
27509271	10.1021/acs.jmedchem.6b00793	Escherichia coli	2
27509271	10.1021/acs.jmedchem.6b00793	Unchecked	2
27509271	10.1021/acs.jmedchem.6b00793	Acinetobacter baumannii	1
27509271	10.1021/acs.jmedchem.6b00793	Burkholderia cepacia	1
27509271	10.1021/acs.jmedchem.6b00793	Ribosomal RNA A-site	1

Data from ChEMBL 36 via Core Engine