Details of the Drug

General Information of Drug (ID: DMPDO43)

• Drug Name: (R,S)-N-(R-phenylethyl)-1H-pyrrole-2-carboxamide
• Synonyms: N-(1-phenylethyl)-1H-pyrrole-2-carboxamide; pyrrole inhibitor 24; AC1MOG77; (R,S)-N-(R-phenylethyl)-1H-pyrrole-2-carboxamide; CHEMBL373648; SCHEMBL15771458; BDBM15599

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); 214.26
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C13H14N2O
  IUPAC Name: N-(1-phenylethyl)-1H-pyrrole-2-carboxamide
  Canonical SMILES: CC(C1=CC=CC=C1)NC(=O)C2=CC=CN2
  InChI: InChI=1S/C13H14N2O/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12/h2-10,14H,1H3,(H,15,16)
  InChIKey: ZCDCLWRYDWKALM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3343155
  TTD ID: D04UYZ

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.