Details of the Drug

General Information of Drug (ID: DM4HJZI)

• Drug Name: 7-fluoro-2-(4-fluorophenyl)-4H-chromene-4-thione
• Synonyms: CHEMBL599545; 7-fluoro-2-(4-fluorophenyl)-4H-chromene-4-thione

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); 274.29
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H8F2OS
  IUPAC Name: 7-fluoro-2-(4-fluorophenyl)chromene-4-thione
  Canonical SMILES: C1=CC(=CC=C1C2=CC(=S)C3=C(O2)C=C(C=C3)F)F
  InChI: InChI=1S/C15H8F2OS/c16-10-3-1-9(2-4-10)13-8-15(19)12-6-5-11(17)7-14(12)18-13/h1-8H
  InChIKey: JDKXGUUVCBWLSB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46231935
  TTD ID: D0Y5OB

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.