Details of the Drug

General Information of Drug (ID: DMNMVCZ)

• Drug Name: 9-amino-7H-dibenzo[de,h]quinolin-7-one
• Synonyms: CHEMBL246681; 9-amino-7H-dibenzo[de,h]quinolin-7-one; 9-Amino-1-azabenzanthrone; SCHEMBL18573118; BDBM50211247; 9-amino-1-aza-benzo[de]anthracen-7-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); 246.26
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H10N2O
  IUPAC Name: 5-amino-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
  Canonical SMILES: C1=CC2=C3C(=C1)C(=O)C4=C(C3=NC=C2)C=CC(=C4)N
  InChI: InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2
  InChIKey: SWTAISDIUOZWOE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44440937
  TTD ID: D0N9DB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_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
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

References

• [1] Synthesis, biological evaluation and molecular modeling of oxoisoaporphine and oxoaporphine derivatives as new dual inhibitors of acetylcholinester... Eur J Med Chem. 2009 Jun;44(6):2523-32.