Compound Detail

CHEMBL275638

FLAVONE

🧪 Phase II

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🧪 Phase II

O=c1cc(-c2ccccc2)oc2ccccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL275638
Name	FLAVONE
Phase	Phase II
Structure Type	MOL
InChI Key	VHBFFQKBGNRLFZ-UHFFFAOYSA-N

Known Names

2-phenyl-.gamma.-benzopyrone 2-phenyl-1,4-benzopyrone Asmacoril Chromocor Cromaril Cromarile Flavone NSC-19028

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

222.2

MW (Da)

3.46

ALogP

HBA

HBD

30.2

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

Extended Properties

Molecular Formula	C15H10O2
MW	222.24
Aromatic Rings	3
Heavy Atoms	17
NP-Likeness	0.29

Indications

Breast Neoplasms

Activity Summary

IC50 34 meas. best 8.7

Ki 21 meas. best 7.77

Kd 2 meas. best 4.47

EC50 1 meas. best 4.3

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	8.7	6.46	2.0	2
Aromatase CHEMBL1978	IC50	8.1	5.8067	8.0	3
GABA-A receptor; anion channel CHEMBL2093872	Ki	7.77	6.885	17.0	2
Unchecked CHEMBL612545	Ki	7.48	7.1	33.0	2
Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154	IC50	6.85	6.84	140.0	2
Dipeptidyl peptidase 4 CHEMBL284	IC50	6.77	6.77	170.0	1
Unchecked CHEMBL612545	IC50	6.62	6.62	240.0	1
MCF7 CHEMBL387	IC50	6.52	6.52	300.0	1
Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164	IC50	6.5	6.49	320.0	4
RAW264.7 CHEMBL612557	IC50	6.3	6.3	500.0	1
Cytochrome P450 1B1 CHEMBL4878	IC50	6.22	6.22	600.0	1
GABA-A receptor; anion channel CHEMBL1907607	Ki	6.0	5.5867	1000.0	3
Poly [ADP-ribose] polymerase 1 CHEMBL3105	IC50	5.86	5.855	1380.4	2
Carbonic anhydrase 1 CHEMBL261	Ki	5.73	5.725	1880.0	2
Adenosine receptor A1 CHEMBL318	Ki	5.48	5.48	3280.0	2
Adenosine receptor A2a CHEMBL302	Ki	5.46	5.46	3450.0	1
Adenosine A2 receptor CHEMBL2094117	Ki	5.46	5.46	3450.0	1
Carbonic anhydrase 9 CHEMBL3594	Ki	5.38	5.38	4130.0	2
Androgen receptor CHEMBL1871	IC50	5.23	5.23	5900.0	2
Carbonic anhydrase 12 CHEMBL3242	Ki	5.14	5.135	7220.0	2
Carbonic anhydrase 2 CHEMBL205	Ki	5.06	5.06	8710.0	2
Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393	IC50	4.77	4.675	17000.0	2
Adenosine receptor A3 CHEMBL256	Ki	4.77	4.77	16900.0	2
Caco-2 CHEMBL614058	IC50	4.68	4.68	21010.0	1
ATP-dependent translocase ABCB1 CHEMBL4302	Kd	4.47	4.47	33884.4	1
Aorta CHEMBL613606	IC50	4.34	4.34	46000.0	1
Human immunodeficiency virus 1 CHEMBL378	EC50	4.3	4.3	50000.0	1
Neutrophil CHEMBL613710	IC50	4.24	4.215	57000.0	2
H9 CHEMBL614806	IC50	4.17	4.17	68000.0	1
Androgen receptor CHEMBL3072	IC50	4.11	4.11	77624.7	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	2.0	nM	8.7	Antimalarial activity against Plasmodium falciparum DD2 by [3H]hypoxanthine upta...	19097788
Aromatase	IC50	=	8.0	nM	8.1	Inhibition of human placental microsome CYP19	20413308
GABA-A receptor; anion channel	Ki	=	17.0	nM	7.77	Inhibition of binding to GABA-A Benzodiazepine receptor	10508425
Unchecked	Ki	=	33.0	nM	7.48	Compound was evaluated for inhibition constant, in liver microsomes from 3-methy...	7277387
Poly [ADP-ribose] polymerase tankyrase-2	IC50	=	140.0	nM	6.85	Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residu...	23574272
Poly [ADP-ribose] polymerase tankyrase-2	IC50	=	147.91	nM	6.83	Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residu...	23574272
Dipeptidyl peptidase 4	IC50	=	170.0	nM	6.77	Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated ...	29609120
Unchecked	Ki	=	190.0	nM	6.72	Compound was evaluated for inhibition constant, in liver microsomes from beta-na...	7277387
Unchecked	IC50	=	240.0	nM	6.62	Inhibition of beef heart mitochondrial NADH oxidase assessed per mg of protein	2959755
MCF7	IC50	=	300.0	nM	6.52	Antiproliferative activity against human MCF7 cells assessed as inhibition of ce...	33257172
Poly [ADP-ribose] polymerase tankyrase-1	IC50	=	320.0	nM	6.5	Inhibition of human 6XHis-tagged TNKS1 SAM-ART domain (1030 to 1317 amino acid r...	23574272
Poly [ADP-ribose] polymerase tankyrase-1	IC50	=	323.59	nM	6.49	Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence...	24116873
Poly [ADP-ribose] polymerase tankyrase-1	IC50	=	323.59	nM	6.49	Inhibition of human 6XHis-tagged TNKS1 SAM-ART domain (1030 to 1317 amino acid r...	23574272
Poly [ADP-ribose] polymerase tankyrase-1	IC50	=	330.0	nM	6.48	Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence...	24116873
RAW264.7	IC50	=	500.0	nM	6.3	Evaluated for inhibition of COX-2 catalyzed PGE-2 production from LPS induced RA...	14980657
Cytochrome P450 1B1	IC50	=	600.0	nM	6.22	Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing h...	28458135
GABA-A receptor; anion channel	Ki	=	1000.0	nM	6.0	Displacement of [3H]flunitrazepine binding from GABA-A central benzodiazepine re...	-
GABA-A receptor; anion channel	Ki	=	1000.0	nM	6.0	Binding affinity towards benzodiazepine site in GABAA receptor	11384234
Poly [ADP-ribose] polymerase 1	IC50	=	1380.38	nM	5.86	Inhibition of human recombinant ARTD1 by fluorescence assay	23574272
Poly [ADP-ribose] polymerase 1	IC50	=	1400.0	nM	5.85	Inhibition of human recombinant ARTD1 by fluorescence assay	23574272

Literature References

PubMed	DOI	Target Context	# Activities
20346546	10.1016/j.ejmech.2010.02.049	Rattus norvegicus	13
7277387	10.1021/jm00139a011	NON-PROTEIN TARGET	12
26517554	10.1021/acs.jnatprod.5b00075	ADMET	10
31427220	10.1016/j.bmcl.2019.07.048	Nakaseomyces glabratus	8
24793879	10.1016/j.ejmech.2014.04.054	Lipid bilayer	7
21129983	10.1016/j.bmc.2010.10.063	Aorta	6
31427220	10.1016/j.bmcl.2019.07.048	Candida albicans	5
31427220	10.1016/j.bmcl.2019.07.048	Pichia kudriavzevii	4
21493073	10.1016/j.bmc.2011.03.040	3T3-L1	4
23871908	10.1016/j.ejmech.2013.06.019	Neutrophil	4
22197671	10.1016/j.bmc.2011.11.068	Brain	4
24793879	10.1016/j.ejmech.2014.04.054	Unchecked	4
19592245	10.1016/j.bmcl.2009.06.073	Androgen receptor	4
31427220	10.1016/j.bmcl.2019.07.048	Candida parapsilosis	4
2959755	10.1021/np50051a014	Unchecked	4
22197671	10.1016/j.bmc.2011.11.068	NON-PROTEIN TARGET	4
20853873	10.1021/np100240y	Mus musculus	4
7277387	10.1021/jm00139a011	Unchecked	4
20639112	10.1016/j.bmc.2010.05.033	Rattus norvegicus	4
26517554	10.1021/acs.jnatprod.5b00075	Unchecked	3

Data from ChEMBL 36 via Core Engine