Compound Detail

CHEMBL16312

4'-METHOXYFLAVONE

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COc1ccc(-c2cc(=O)c3ccccc3o2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL16312
Name	4'-METHOXYFLAVONE
Phase	Preclinical
Structure Type	MOL
InChI Key	OMICQBVLCVRFGN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

252.3

MW (Da)

3.47

ALogP

HBA

HBD

39.4

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 9 meas. best 7.15

EC50 1 meas. best 8.03

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Influenza A virus CHEMBL613740	EC50	8.03	8.03	9.4	1
Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164	IC50	7.15	7.15	70.8	2
NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208	IC50	5.27	4.89	5400.0	2
Neuraminidase CHEMBL2051	IC50	5.06	5.06	8740.0	1
Potassium voltage-gated channel subfamily A member 5 CHEMBL4306	IC50	5.05	5.05	9000.0	1
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	4.66	4.66	21900.0	1
Amine oxidase [flavin-containing] B CHEMBL2039	IC50	4.55	4.55	27870.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Influenza A virus	EC50	=	9.36	nM	8.03	Antiviral activity against Influenza A virus (H1N1) infected in dog MDCK cells a...	31744778
Poly [ADP-ribose] polymerase tankyrase-1	IC50	=	70.79	nM	7.15	Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence...	24116873
Poly [ADP-ribose] polymerase tankyrase-1	IC50	=	71.0	nM	7.15	Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence...	24116873
NACHT, LRR and PYD domains-containing protein 3	IC50	=	5400.0	nM	5.27	PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi...	-
Neuraminidase	IC50	=	8740.0	nM	5.06	Inhibition of Influenza A virus (H1N1) neuraminidase	31744778
Potassium voltage-gated channel subfamily A member 5	IC50	=	9000.0	nM	5.05	Inhibition of human Kv1.5 expressed in HEK293 cells by whole cell patch clamp me...	-
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	21900.0	nM	4.66	Inhibition of human ERG expressed in HEK293 cells assessed as decrease in tail c...	-
Amine oxidase [flavin-containing] B	IC50	=	27870.0	nM	4.55	Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyr...	20045650
NACHT, LRR and PYD domains-containing protein 3	IC50	=	31000.0	nM	4.51	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i...	-

PubMed	DOI	Target Context	# Activities
27343852	10.1016/j.ejmech.2016.06.024	NON-PROTEIN TARGET	2
27343852	10.1016/j.ejmech.2016.06.024	DNA topoisomerase 2-alpha	2
35576701	10.1016/j.ejmech.2022.114332	Cytochrome P450	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
28408221	10.1016/j.bmcl.2017.03.057	RAW264.7	2
24116873	10.1021/jm401463y	Poly [ADP-ribose] polymerase tankyrase-1	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
31744778	10.1016/j.bmc.2019.115191	Neuraminidase	2
20565070	10.1021/np1000945	NON-PROTEIN TARGET	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	1
24116873	10.1021/jm401463y	HEK293	1
-	10.1007/s00044-012-0423-1	MOLT-4	1
-	10.1007/s00044-012-0423-1	HepG2	1
-	10.1007/s00044-012-0423-1	Liver microsome	1
35576701	10.1016/j.ejmech.2022.114332	Unchecked	1
20045650	10.1016/j.bmc.2009.12.029	Amine oxidase [flavin-containing] B	1
20045650	10.1016/j.bmc.2009.12.029	Unchecked	1
17383189	10.1016/j.bmc.2007.03.031	HT-29	1
17383189	10.1016/j.bmc.2007.03.031	MCF7	1
8523407	10.1021/jm00025a011	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine