Details of the Drug

General Information of Drug (ID: DMJZR0A)

• Drug Name: 7-Oxo-7H-dibenzo[de,g]quinoline
• Synonyms: CHEMBL559502; 38750-39-9; 7-Oxo-7H-dibenzo[de,g]quinoline; NSC296570; AC1L6XTV; CTK1C6162; DTXSID80315725; 7H-Dibenzo[de,g]quinolin-7-one; 7H-Dibenzo[de,g]quinoline-7-one; BDBM50293443

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); 231.25
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H9NO
  IUPAC Name: 10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
  Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC4=C3C(=NC=C4)C2=O
  InChI: InChI=1S/C16H9NO/c18-16-13-6-2-1-5-11(13)12-7-3-4-10-8-9-17-15(16)14(10)12/h1-9H
  InChIKey: GHWKWAMIXPOYPG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 326183
  CAS Number: 38750-39-9
  TTD ID: D0I3UA

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]
Cholinesterase (BCHE)	TTEB0GD	CHLE_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.