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Compound Detail

CHEMBL274318

FLAVANONE
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O=C1CC(c2ccccc2)Oc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274318
Name FLAVANONE
Phase Preclinical
Structure Type MOL
InChI Key ZONYXWQDUYMKFB-UHFFFAOYSA-N
13
Targets
20
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
3.39
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H12O2
MW 224.26
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.75

Activity Summary

IC50 17 meas. best 6.51
Ki 2 meas. best 4.5
EC50 1 meas. best 4.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.51 6.51 310.0 1
Amine oxidase [flavin-containing] B
CHEMBL2039
 IC50 5.54 5.54 2870.0 1
Aromatase
CHEMBL1978
 IC50 5.1 4.83 8000.0 5
Androgen receptor
CHEMBL1871
 IC50 4.7 4.7 20000.0 1
Adenosine receptor A1
CHEMBL318
 Ki 4.5 4.5 32000.0 1
H9
CHEMBL614806
 IC50 4.35 4.35 45000.0 1
Adenosine receptor A3
CHEMBL256
 Ki 4.3 4.3 50100.0 1
HL-60
CHEMBL383
 IC50 4.29 4.29 51100.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.29 4.2425 51100.0 4
Androgen receptor
CHEMBL3072
 IC50 4.26 4.26 54954.1 1
Human immunodeficiency virus 1
CHEMBL378
 EC50 4.24 4.24 58000.0 1
NALM-6
CHEMBL614187
 IC50 4.24 4.24 57600.0 1
WM-115
CHEMBL1075611
 IC50 4.15 4.15 71200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 310.0 nM 6.51 Inhibition of beef heart mitochondrial NADH oxidase assessed per mg of protein 2959755
Amine oxidase [flavin-containing] B IC50 = 2870.0 nM 5.54 Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyr... 20045650
Aromatase IC50 = 8000.0 nM 5.1 Inhibition of aromatase (unknown origin) 24345481
Aromatase IC50 = 8000.0 nM 5.1 Inhibition of aromatase (unknown origin) 26301554
Aromatase IC50 = 13803.84 nM 4.86 Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... 28622580
Androgen receptor IC50 = 20000.0 nM 4.7 Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhi... 19592245
Aromatase IC50 = 28000.0 nM 4.55 Inhibition of human aromatase in placental microsomes 18042388
Aromatase IC50 = 28500.0 nM 4.54 In vitro inhibition of [1,2,6,7-3H]-androstenedione binding to human placental m... 11909717
Adenosine receptor A1 Ki = 32000.0 nM 4.5 Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]PIA disp... 8691424
H9 IC50 = 45000.0 nM 4.35 Cytotoxicity against human H9 cells after 3 days 8158164
Adenosine receptor A3 Ki = 50100.0 nM 4.3 Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I... 8691424
NON-PROTEIN TARGET IC50 = 51100.0 nM 4.29 Cytotoxicity against human HL60 cells by MTT assay 25091929
NON-PROTEIN TARGET IC50 = 51100.0 nM 4.29 Cytotoxicity against human HL60 cells assessed as reduction in cell survival aft... 27234147
HL-60 IC50 = 51100.0 nM 4.29 Cytotoxicity against human HL60 cells after 46 hrs by MTT assay 23756061
Androgen receptor IC50 = 54954.09 nM 4.26 Inhibitory concentration against recombinant rat androgen receptor expressed in ... 16134935
NALM-6 IC50 = 57600.0 nM 4.24 Cytotoxicity against human NALM6 cells after 46 hrs by MTT assay 23756061
NON-PROTEIN TARGET IC50 = 57600.0 nM 4.24 Cytotoxicity against human NALM6 cells by MTT assay 25091929
Human immunodeficiency virus 1 EC50 = 58000.0 nM 4.24 Antiviral activity against HIV1 3B infected in human H9 cells assessed as inhibi... 8158164
WM-115 IC50 = 71200.0 nM 4.15 Cytotoxicity against human WM115 cells after 46 hrs by MTT assay 23756061
NON-PROTEIN TARGET IC50 = 71200.0 nM 4.15 Cytotoxicity against human WM115 cells by MTT assay 25091929

Literature References

PubMed DOI Target Context # Activities
2959755 10.1021/np50051a014 Unchecked 4
21493073 10.1016/j.bmc.2011.03.040 3T3-L1 4
25091929 10.1016/j.bmcl.2014.07.027 NON-PROTEIN TARGET 3
18042388 10.1016/j.bmc.2007.10.057 Aromatase 2
1378087 10.1021/np50080a005 Unchecked 2
18533708 10.1021/jm800054h 17-beta-hydroxysteroid dehydrogenase type 1 2
19592245 10.1016/j.bmcl.2009.06.073 Glucocorticoid receptor 2
18533708 10.1021/jm800054h 17-beta-hydroxysteroid dehydrogenase type 2 2
19640715 10.1016/j.bmcl.2009.07.082 Unchecked 2
19236029 10.1021/np800698d Enterococcus faecalis 2
19592245 10.1016/j.bmcl.2009.06.073 Androgen receptor 2
17137679 10.1016/j.ejmech.2006.10.004 Bel-7402 1
17137679 10.1016/j.ejmech.2006.10.004 PC-3 1
17137679 10.1016/j.ejmech.2006.10.004 NON-PROTEIN TARGET 1
17137679 10.1016/j.ejmech.2006.10.004 MCF7 1
28622580 10.1016/j.ejmech.2017.05.041 Aromatase 1
14684314 10.1016/j.bmcl.2003.10.029 WISH 1
9438021 10.1021/jm970446z Adenosine receptor A2a 1
9438021 10.1021/jm970446z Adenosine receptor A1 1
8691424 10.1021/jm950923i Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine