Details of the Drug

General Information of Drug (ID: DMEQH6J)

• Drug Name: Flavone
• Synonyms: Flavone; FLAVONE; 525-82-6; 2-Phenylchromone; 2-Phenyl-4H-chromen-4-one; 2-Phenyl-4-chromone; Asmacoril; 2-Phenyl-4H-1-benzopyran-4-one; 2-Phenyl-4-benzopyron; 4H-1-Benzopyran-4-one, 2-phenyl-; Chromocor; Cromaril; 2-phenylchromen-4-one; Phenylchromone; 2-Phenyl-chromen-4-one; 2-Phenyl-gamma-benzopyrone; 2-Phenylbenzopyran-4-one; Cromarile; 2-Phenyl-4H-benzopyran-4-one; Flavon; 2-Phenylchrome; UNII-S2V45N7G3B; NSC 19028; 2-Phenyl-4H-chromen-4-on; CCRIS 4288; NSC19028; EINECS 208-383-8; NSC-19028; BRN 0157598

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1], [2]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 222.24
  Topological Polar Surface Area (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C15H10O2
  IUPAC Name: 2-phenylchromen-4-one
  Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
  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
  InChIKey: VHBFFQKBGNRLFZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10680
  ChEBI ID: CHEBI:42491
  CAS Number: 525-82-6
  DrugBank ID: DB07776
  TTD ID: D0S0RK
  INTEDE ID: DR2144

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Antagonist	[3]
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Antagonist	[3]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Antagonist	[3], [4]
Androgen receptor messenger RNA (AR mRNA)	TTKPW01	ANDR_HUMAN	Inhibitor	[5]
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[6]
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[7]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2A6 (CYP2A6)	DEJVYAZ	CP2A6_HUMAN	Substrate	[8]
Naphthalene dioxygenase (doxB)	DEE76YZ	NDOB_PSEU8	Substrate	[9]
Biphenyl dioxygenase (bphC)	DEUX61H	BPHC_PSEFK	Substrate	[9]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Cytochrome P450 2A6 (CYP2A6)	DME	CYP2A6	7.56E-01	-6.70E-02	-3.47E-01

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