Details of the Drug

General Information of Drug (ID: DM51MRV)

• Drug Name: 9-(3-aminopropoxy)-7H-furo[3,2-g]chromen-7-one
• Synonyms: CHEMBL382645; 119802-72-1; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(3-aminopropoxy)-; ACMC-20moke; 9-(3-aminopropoxy)-7H-furo[3,2-g]chromen-7-one; SCHEMBL17373028; CTK0F9398; DTXSID90470955

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); 259.26
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C14H13NO4
  IUPAC Name: 9-(3-aminopropoxy)furo[3,2-g]chromen-7-one
  Canonical SMILES: C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OCCCN
  InChI: InChI=1S/C14H13NO4/c15-5-1-6-17-14-12-10(4-7-18-12)8-9-2-3-11(16)19-13(9)14/h2-4,7-8H,1,5-6,15H2
  InChIKey: ZTTJBZXILLQBLD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11708692
  CAS Number: 119802-72-1
  TTD ID: D0U9VX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_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 A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

References

• [1] A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins. J Med Chem. 2006 Feb 9;49(3):1149-56.