Compound Detail

CHEMBL2048341

EUDISTOMIN Y8

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Oc1ccc(C(O)c2nccc3c2[nH]c2ccccc23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2048341
Name	EUDISTOMIN Y8
Phase	Preclinical
Structure Type	MOL
InChI Key	SZIZWNHEMQHJAW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

290.3

MW (Da)

3.50

ALogP

HBA

HBD

69.1

PSA (Å²)

0.53

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 1 meas. best 4.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Isocitrate lyase CHEMBL5359	IC50	4.16	4.16	68900.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Isocitrate lyase	IC50	=	68900.0	nM	4.16	Inhibition of Candida albicans recombinant ICL assessed as formation of glyoxyla...	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