Compound Detail

CHEMBL2048342

EUDISTOMIN Y9

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Oc1ccc(C(O)c2nccc3c2[nH]c2ccc(Br)cc23)cc1Br

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2048342
Name	EUDISTOMIN Y9
Phase	Preclinical
Structure Type	MOL
InChI Key	SYELWJGGJBFZFS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

448.1

MW (Da)

5.03

ALogP

HBA

HBD

69.1

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 1 meas. best 4.48

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	4.48	4.48	33300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	33300.0	nM	4.48	Inhibition of porcine cerebral cortex Na+/K+ ATPase assessed as formation of flu...	22652254

PubMed	DOI	Target Context	# Activities
22652254	10.1016/j.bmc.2012.05.002	Staphylococcus aureus	1
22652254	10.1016/j.bmc.2012.05.002	Bacillus subtilis	1
22652254	10.1016/j.bmc.2012.05.002	Micrococcus luteus	1
22652254	10.1016/j.bmc.2012.05.002	Salmonella typhimurium	1
22652254	10.1016/j.bmc.2012.05.002	Proteus vulgaris	1
22652254	10.1016/j.bmc.2012.05.002	Escherichia coli	1
22652254	10.1016/j.bmc.2012.05.002	Aspergillus fumigatus	1
22652254	10.1016/j.bmc.2012.05.002	Trichophyton rubrum	1
22652254	10.1016/j.bmc.2012.05.002	Trichophyton mentagrophytes	1
22652254	10.1016/j.bmc.2012.05.002	Candida albicans	1
22652254	10.1016/j.bmc.2012.05.002	A549	1
22652254	10.1016/j.bmc.2012.05.002	Sortase A	1
22652254	10.1016/j.bmc.2012.05.002	Isocitrate lyase	1
22652254	10.1016/j.bmc.2012.05.002	Unchecked	1

Data from ChEMBL 36 via Core Engine