Compound Detail

CHEMBL486625

GENISTIN

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O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL486625
Name	GENISTIN
Phase	Preclinical
Structure Type	MOL
InChI Key	ZCOLJUOHXJRHDI-CMWLGVBASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

432.4

MW (Da)

0.05

ALogP

HBA

HBD

170.1

PSA (Å²)

0.33

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

PubMed	DOI	Target Context	# Activities
35835380	10.1016/j.bmcl.2022.128886	i-motif DNA	12
35835380	10.1016/j.bmcl.2022.128886	quadruplex DNA	6
21545185	10.1021/jf200821p	Spodoptera litura	3
35835380	10.1016/j.bmcl.2022.128886	dsDNA	3
22212722	10.1016/j.bmcl.2011.12.036	Ishikawa	3
22212722	10.1016/j.bmcl.2011.12.036	Calvarial osteoblast	3
19944611	10.1016/j.bmc.2009.11.015	No relevant target	3
24953601	10.1016/j.bmcl.2014.05.077	No relevant target	2
20565070	10.1021/np1000945	NON-PROTEIN TARGET	1
22212722	10.1016/j.bmcl.2011.12.036	ADMET	1
23062825	10.1016/j.bmc.2012.09.040	Acetylcholinesterase	1
23062825	10.1016/j.bmc.2012.09.040	Cholinesterase	1
3379415	10.1021/np50056a030	Xanthine dehydrogenase/oxidase	1
25679337	10.1021/np5009416	No relevant target	1
25679337	10.1021/np5009416	Unchecked	1
28006913	10.1021/acs.jnatprod.6b00738	Candida albicans	1
28006913	10.1021/acs.jnatprod.6b00738	Cryptococcus neoformans	1
28006913	10.1021/acs.jnatprod.6b00738	Escherichia coli	1
28006913	10.1021/acs.jnatprod.6b00738	Staphylococcus aureus	1
19944611	10.1016/j.bmc.2009.11.015	NON-PROTEIN TARGET	1

Data from ChEMBL 36 via Core Engine