Compound Detail

CHEMBL4444392

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CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=C(c3ccccc3)C[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4444392
Phase	Preclinical
Structure Type	MOL
InChI Key	WRZQWMHIOYQDIX-YRUZMZLKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

551.7

MW (Da)

-1.67

ALogP

HBA

HBD

199.7

PSA (Å²)

0.17

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Bacterial 70S ribosome CHEMBL2363135	IC50	6.57	6.57	270.0	1
Unchecked CHEMBL612545	IC50	5.46	4.6967	3500.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Bacterial 70S ribosome	IC50	=	270.0	nM	6.57	Inhibition of Mycobacterium smegmatis wild type ribosomes assessed as inhibition...	31303992
Unchecked	IC50	=	3500.0	nM	5.46	Inhibition of human mitochondrial ribosome Mit 13 A1555G mutant hybridized with ...	31303992
Unchecked	IC50	=	29000.0	nM	4.54	Inhibition of human mitochondrial ribosome Mit 13 hybridized with Mycobacterium ...	31303992
Unchecked	IC50	=	81000.0	nM	4.09	Inhibition of human cytoplasmic ribosome Cyt 14 hybridized with Mycobacterium sm...	31303992

PubMed	DOI	Target Context	# Activities
31303992	10.1039/C9MD00153K	Unchecked	6
31303992	10.1039/C9MD00153K	Staphylococcus aureus	3
31303992	10.1039/C9MD00153K	Pseudomonas aeruginosa	3
31303992	10.1039/C9MD00153K	Escherichia coli	3
31303992	10.1039/C9MD00153K	Bacterial 70S ribosome	1

Data from ChEMBL 36 via Core Engine