Compound Detail

CHEMBL115452

BROUSSOCHALCONE A

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CC(C)=CCc1cc(C(=O)/C=C/c2ccc(O)c(O)c2)c(O)cc1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL115452
Name	BROUSSOCHALCONE A
Phase	Preclinical
Structure Type	MOL
InChI Key	FEALTYYKRMRXTG-QPJJXVBHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

340.4

MW (Da)

3.91

ALogP

HBA

HBD

98.0

PSA (Å²)

0.29

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 12 meas. best 6.22

Ki 1 meas. best 5.28

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Xanthine dehydrogenase/oxidase CHEMBL1929	IC50	6.22	6.22	600.0	2
Amine oxidase [flavin-containing] A CHEMBL1951	IC50	6.14	6.14	720.0	1
Maltase-glucoamylase CHEMBL2074	Ki	5.28	5.28	5300.0	1
Unchecked CHEMBL612545	IC50	5.28	5.28	5300.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.17	4.91	6800.0	2
Amine oxidase [flavin-containing] B CHEMBL2039	IC50	5.15	5.15	7020.0	1
RAW264.7 CHEMBL612557	IC50	4.95	4.95	11300.0	1
Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335	IC50	4.67	4.55	21500.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Xanthine dehydrogenase/oxidase	IC50	=	600.0	nM	6.22	Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate meas...	28478180
Xanthine dehydrogenase/oxidase	IC50	=	600.0	nM	6.22	Inhibition of XO (unknown origin) using xanthine as substrate incubated for 5 mi...	37908076
Amine oxidase [flavin-containing] A	IC50	=	720.0	nM	6.14	Inhibition of human MAO-A using kynuramine as substrate incubated for 20 mins by...	32920430
Unchecked	IC50	=	5300.0	nM	5.28	Non-competitive inhibition of alpha-glucosidase (unknown origin)	25638569
Maltase-glucoamylase	Ki	=	5300.0	nM	5.28	Non-competitive inhibition of alpha-glucosidase (unknown origin) using p-nitroph...	31927314
NON-PROTEIN TARGET	IC50	=	6800.0	nM	5.17	Antiplatelet activity against rabbit platelets assessed as arachidonic acid-indu...	8864236
Amine oxidase [flavin-containing] B	IC50	=	7020.0	nM	5.15	Inhibition of human MAO-B using kynuramine as substrate incubated for 20 mins by...	32920430
RAW264.7	IC50	=	11300.0	nM	4.95	Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells	32208222
Tyrosine-protein phosphatase non-receptor type 1	IC50	=	21500.0	nM	4.67	Inhibition of PTP1B (unknown origin)	25638569
NON-PROTEIN TARGET	IC50	=	22400.0	nM	4.65	Antiplatelet activity against rabbit platelets assessed as collagen-induced plat...	8864236
Tyrosine-protein phosphatase non-receptor type 1	IC50	=	36800.0	nM	4.43	The inhibitory activity tested against human Protein-tyrosine phosphatase 1B enz...	12419367

PubMed	DOI	Target Context	# Activities
8864236	10.1021/np960376j	NON-PROTEIN TARGET	9
28478180	10.1016/j.ejmech.2017.04.031	Xanthine dehydrogenase/oxidase	2
31927314	10.1016/j.ejmech.2020.112034	Maltase-glucoamylase	1
37908076	10.1021/acs.jmedchem.3c01710	Xanthine dehydrogenase/oxidase	1
32920430	10.1016/j.ejmech.2020.112650	Unchecked	1
32920430	10.1016/j.ejmech.2020.112650	Amine oxidase [flavin-containing] B	1
32920430	10.1016/j.ejmech.2020.112650	Amine oxidase [flavin-containing] A	1
32208222	10.1016/j.ejmech.2020.112216	RAW264.7	1
31927314	10.1016/j.ejmech.2020.112034	Alpha-mannosidase	1
31927314	10.1016/j.ejmech.2020.112034	Tissue alpha-L-fucosidase	1
31927314	10.1016/j.ejmech.2020.112034	Unchecked	1
12419367	10.1016/s0960-894x(02)00757-6	Tyrosine-protein phosphatase non-receptor type 1	1
25638569	10.1016/j.ejmech.2015.01.051	Tyrosine-protein phosphatase non-receptor type 1	1
25638569	10.1016/j.ejmech.2015.01.051	Unchecked	1
-	10.1007/s00044-011-9938-0	Alpha-glucosidase MAL62	1
8864236	10.1021/np960376j	Unchecked	1
11678652	10.1021/np010288l	Aromatase	1

Data from ChEMBL 36 via Core Engine