Compound Detail

CHEMBL2048338

EUDISTOMIN Y3

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O=C(c1ccc(O)c(Br)c1)c1nccc2c1[nH]c1ccccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2048338
Name	EUDISTOMIN Y3
Phase	Preclinical
Structure Type	MOL
InChI Key	RVFSIJWZHTVFJY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

367.2

MW (Da)

4.42

ALogP

HBA

HBD

66.0

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 1 meas. best 4.65

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	4.65	4.65	22500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	22500.0	nM	4.65	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