Details of the Drug

General Information of Drug (ID: DM3BZ7S)

• Drug Name: NSC-93405
• Synonyms: NSC-93405; 7-fluoro-2-phenyl-4H-chromen-4-one; CHEMBL477846; 2558-17-0; 7-FLUORO-2-PHENYL-4H-1-BENZOPYRAN-4-ONE; 7-Fluoroflavone; NSC93405; AC1Q4OJF; AC1L657P; SCHEMBL12961037; 7-fluoro-2-phenylchromen-4-one; DTXSID20294000; 7-fluoro-2-phenyl-chromen-4-one; BDBM50310188; 7-fluoranyl-2-phenyl-chromen-4-one; MB10484; 7-fluoro-2-phenyl-1-benzopyran-4-one

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 240.23
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H9FO2
  IUPAC Name: 7-fluoro-2-phenylchromen-4-one
  Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)F
  InChI: InChI=1S/C15H9FO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9H
  InChIKey: ZEYRNYUCQATYPC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 261394
  CAS Number: 2558-17-0
  TTD ID: D0K8EE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_HUMAN	Inhibitor	[1]

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
Monoamine oxidase type B (MAO-B)	DTT	MAOB	2.65E-02	1.12E-02	0.07

References

• [1] A new series of flavones, thioflavones, and flavanones as selective monoamine oxidase-B inhibitors. Bioorg Med Chem. 2010 Feb;18(3):1273-9.