FLAVONE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S2V45N7G3B

Structure
InChI Key VHBFFQKBGNRLFZ-UHFFFAOYSA-N
Smile O=c1cc(-c2ccccc2)oc2ccccc12
InChI
InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10O2
Molecular Weight 222.24
AlogP 3.46
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 30.21
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1B Cytochrome P450 1B1
- 600 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- 8-10000 - - -
Enzyme Isomerase
- - - - 52-83
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PDHK subfamily
- - - -
Enzyme Lyase
- - - 1880-1890 -
Enzyme Oxidoreductase
- - - - 15
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A
- - - - 50
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B
- - - - 50
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4C
- - - - 50
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- - - - 50
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M1 family
- - - - 5
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 170 - - -
Enzyme Transferase
- 320-330 - - -
Ion channel Ligand-gated ion channel GABA-A receptor
- - - 1000-4200 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- - - 16900-16900 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 5900-5900 - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - 33884 - -
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
- 17000-26000 - - -
Unclassified protein
- - - - 0-87

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 2 D001943 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 42491
ChEMBL CHEMBL275638
DrugBank DB07776
EPA CompTox DTXSID2022048
FDA SRS S2V45N7G3B
Human Metabolome Database HMDB0003075
Guide to Pharmacology 409
KEGG C15608
PDB FLN
PubChem 10680
SureChEMBL SCHEMBL18879
ZINC ZINC000000057674
CONTENTS