Details of the Drug

General Information of Drug (ID: DMZL87A)

• Drug Name: 5,6-Dichloro-N-(3-morpholinopropyl)nicotinamide
• Synonyms: CHEMBL597764; 5,6-Dichloro-N-(3-morpholinopropyl)nicotinamide; BDBM50307204

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); 318.2
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C13H17Cl2N3O2
  IUPAC Name: 5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
  Canonical SMILES: C1COCCN1CCCNC(=O)C2=CC(=C(N=C2)Cl)Cl
  InChI: InChI=1S/C13H17Cl2N3O2/c14-11-8-10(9-17-12(11)15)13(19)16-2-1-3-18-4-6-20-7-5-18/h8-9H,1-7H2,(H,16,19)
  InChIKey: TZOXTUGEEZYMTF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 43236315
  TTD ID: D0ZA4J

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.