Compound Detail

CHEMBL479351

XANTHOHUMOL C

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COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(O)cc1)C=CC(C)(C)O2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL479351
Name	XANTHOHUMOL C
Phase	Preclinical
Structure Type	MOL
InChI Key	CVMUWVCGBFJJFI-RMKNXTFCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

352.4

MW (Da)

4.19

ALogP

HBA

HBD

76.0

PSA (Å²)

0.64

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 3 meas. best 5.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MCF7 CHEMBL387	IC50	5.16	4.98	6870.0	2
HeLa CHEMBL399	IC50	4.9	4.9	12500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MCF7	IC50	=	6870.0	nM	5.16	Antiproliferative activity against human MCF7 cells assessed as inhibition of ce...	33257172
HeLa	IC50	=	12500.0	nM	4.9	Cytotoxicity against human HeLa cells by MTT assay after 72 hrs	18611049
MCF7	IC50	=	15700.0	nM	4.8	Antiproliferative activity against human MCF7 cells assessed as inhibition of ce...	33257172

PubMed	DOI	Target Context	# Activities
36584344	10.1021/acs.jmedchem.2c01793	Staphylococcus aureus	11
26918635	10.1021/acs.jnatprod.5b01052	Polyunsaturated fatty acid 5-lipoxygenase	4
34542287	10.1021/acs.jnatprod.1c00505	MEF	2
33257172	10.1016/j.ejmech.2020.113037	MCF7	2
18611049	10.1021/np800188b	HeLa	1
18611049	10.1021/np800188b	NON-PROTEIN TARGET	1
26918635	10.1021/acs.jnatprod.5b01052	Prostaglandin E synthase	1
36584344	10.1021/acs.jmedchem.2c01793	Erythrocyte	1

Data from ChEMBL 36 via Core Engine