Details of the Drug

General Information of Drug (ID: DMNYQ28)

• Drug Name: N-propargyl-1H-pyrrole-2-carboxamide
• Synonyms: N-propargyl-1H-pyrrole-2-carboxamide; 1H-pyrrole-2-carboxylic acid prop-2-ynylamide; 929537-02-0; pyrrole inhibitor 32; CHEMBL266769; BDBM15607; AKOS009070722

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); 148.16
  Logarithm of the Partition Coefficient (xlogp); 0.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C8H8N2O
  IUPAC Name: N-prop-2-ynyl-1H-pyrrole-2-carboxamide
  Canonical SMILES: C#CCNC(=O)C1=CC=CN1
  InChI: InChI=1S/C8H8N2O/c1-2-5-10-8(11)7-4-3-6-9-7/h1,3-4,6,9H,5H2,(H,10,11)
  InChIKey: AXGVGNDEKWILLM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16110305
  TTD ID: D0H5MV

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] New pyrrole inhibitors of monoamine oxidase: synthesis, biological evaluation, and structural determinants of MAO-A and MAO-B selectivity. J Med Chem. 2007 Mar 8;50(5):922-31.