Details of the Drug

General Information of Drug (ID: DM7ZSVD)

• Drug Name: ISODISPAR B
• Synonyms: ISODISPAR B; CHEMBL198873; AC1O5FK1; BDBM50172747; 5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenylchromen-2-one; 5,7-Dihydroxy-8-(3-methyl-butyryl)-4-phenyl-chromen-2-one; 5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-chromen-2-one; 4-Phenyl-5,7-dihydroxy-8-(3-methylbutyryl)-2H-1-benzopyran-2-one; 2H-1-Benzopyran-2-one, 5,7-dihydroxy-8-(3-methyl-1-oxobutyl)-4-phenyl-

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); 338.4
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C20H18O5
  IUPAC Name: 5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenylchromen-2-one
  Canonical SMILES: CC(C)CC(=O)C1=C(C=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)O
  InChI: InChI=1S/C20H18O5/c1-11(2)8-14(21)19-16(23)10-15(22)18-13(9-17(24)25-20(18)19)12-6-4-3-5-7-12/h3-7,9-11,22-23H,8H2,1-2H3
  InChIKey: GKEWZBRIASMMCY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 6483316
  TTD ID: D0E9TU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[1]

References

• [1] 4-Phenylcoumarins as HIV transcription inhibitors. Bioorg Med Chem Lett. 2005 Oct 15;15(20):4447-50.