Details of the Drug

General Information of Drug (ID: DMR2OMU)

• Drug Name: 5,6-Dichloro-N-(2-morpholinoethyl)nicotinamide
• Synonyms: 5,6-Dichloro-N-(2-morpholinoethyl)nicotinamide; CHEMBL589770; MolPort-005-210-928; ZINC21809540; BDBM50307191; AKOS005859120; 1039842-02-8; Z32410257

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); 304.17
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H15Cl2N3O2
  IUPAC Name: 5,6-dichloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
  Canonical SMILES: C1COCCN1CCNC(=O)C2=CC(=C(N=C2)Cl)Cl
  InChI: InChI=1S/C12H15Cl2N3O2/c13-10-7-9(8-16-11(10)14)12(18)15-1-2-17-3-5-19-6-4-17/h7-8H,1-6H2,(H,15,18)
  InChIKey: BNRXERZZOCTDMX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 29786172
  TTD ID: D0J3IA

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.