Details of the Drug

General Information of Drug (ID: DM73ZHV)

• Drug Name: N-benzyl-1H-pyrrole-2-carboxamide
• Synonyms: N-benzyl-1H-pyrrole-2-carboxamide; CHEMBL174040; pyrrole inhibitor 9; 1H-Pyrrole-2-carboxamide, N-(phenylmethyl)-; SCHEMBL2576103; BDBM15583; AKOS027595596

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); 200.24
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C12H12N2O
  IUPAC Name: N-benzyl-1H-pyrrole-2-carboxamide
  Canonical SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC=CN2
  InChI: InChI=1S/C12H12N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h1-8,13H,9H2,(H,14,15)
  InChIKey: PSYQATYJXPGBDC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11019886
  TTD ID: D0A4FA

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.