Compound Detail

CHEMBL575707

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CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H]([C@H](C)O)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL575707
Phase	Preclinical
Structure Type	MOL
InChI Key	BRZYSWJRSDMWLG-KVXRWBJUSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

496.6

MW (Da)

-5.61

ALogP

HBA

HBD

248.4

PSA (Å²)

0.16

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 2 meas. best 8.05

EC50 1 meas. best 6.01

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
DNA CHEMBL2364041	IC50	8.05	8.05	9.0	1
Unchecked CHEMBL612545	EC50	6.01	6.01	980.0	1
Unchecked CHEMBL612545	IC50	5.7	5.7	2000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
DNA	IC50	=	9.0	nM	8.05	Inhibition of prokaryotic circular pBESTluc plasmid DNA from Escherichia coli S3...	37312846
Unchecked	EC50	=	980.0	nM	6.01	Induction of read through activity at cricket paralysis virus-internal ribosome ...	30613341
Unchecked	IC50	=	2000.0	nM	5.7	Inhibition of eukaryotic luciferase T7 plasmid DNA (unknown origin) assessed as ...	37312846

PubMed	DOI	Target Context	# Activities
30613341	10.1021/acsmedchemlett.8b00472	Unchecked	6
37312846	10.1021/acsmedchemlett.3c00089	Unchecked	4
31181927	10.1021/acs.jnatprod.9b00312	Escherichia coli	1
36150638	10.1016/j.bmcl.2022.128989	Premature termination codon	1
37312846	10.1021/acsmedchemlett.3c00089	Escherichia coli	1
37312846	10.1021/acsmedchemlett.3c00089	Bacillus subtilis	1
37312846	10.1021/acsmedchemlett.3c00089	DNA	1

Data from ChEMBL 36 via Core Engine