Details of the Drug

General Information of Drug (ID: DMA1QH0)

• Drug Name: 6-Fluoro-N-(2-morpholinoethyl)nicotinamide
• Synonyms: 6-Fluoro-N-(2-morpholinoethyl)nicotinamide; CHEMBL611061; BDBM50307187; AKOS013288891

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); 253.27
  Logarithm of the Partition Coefficient (xlogp); 0.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C12H16FN3O2
  IUPAC Name: 6-fluoro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
  Canonical SMILES: C1COCCN1CCNC(=O)C2=CN=C(C=C2)F
  InChI: InChI=1S/C12H16FN3O2/c13-11-2-1-10(9-15-11)12(17)14-3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,14,17)
  InChIKey: GHLPFUPTLVEUTA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46233363
  TTD ID: D04EDK

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] Design of novel nicotinamides as potent and selective monoamine oxidase a inhibitors. Bioorg Med Chem. 2010 Feb 15;18(4):1659-64.