Details of the Drug

General Information of Drug (ID: DMG47QU)

• Drug Name: (E)-6-Styrylisatin
• Synonyms: (E)-6-Styrylisatin; CHEMBL450239

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); 249.26
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H11NO2
  IUPAC Name: 6-[(E)-2-phenylethenyl]-1H-indole-2,3-dione
  Canonical SMILES: C1=CC=C(C=C1)/C=C/C2=CC3=C(C=C2)C(=O)C(=O)N3
  InChI: InChI=1S/C16H11NO2/c18-15-13-9-8-12(10-14(13)17-16(15)19)7-6-11-4-2-1-3-5-11/h1-10H,(H,17,18,19)/b7-6+
  InChIKey: ZQOJVXBKHOCLGH-VOTSOKGWSA-N
• Cross-matching ID:
  PubChem CID: 42629116
  TTD ID: D07GUX

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] Inhibition of monoamine oxidase by (E)-styrylisatin analogues. Bioorg Med Chem Lett. 2009 May 1;19(9):2509-13.