Details of the Drug

General Information of Drug (ID: DMZON3T)

• Drug Name: (2s)-Pyrrolidin-2-Ylmethylamine
• Synonyms: (S)-pyrrolidin-2-ylmethanamine; 69500-64-7; (S)-(+)-2-(Aminomethyl)pyrrolidine; (2S)-PYRROLIDIN-2-YLMETHYLAMINE; (S)-2-(Aminomethyl)pyrrolidine; (S)-2-aminomethylpyrrolidine; (S)-pyrrolidin-2-ylmethylamine; [(2S)-pyrrolidin-2-yl]methanamine; 1-[(2S)-pyrrolidin-2-yl]methanamine; 2-Pyrrolidinemethanamine, (2S)-; (S)-(+)-2-(Aminomethyl)pyrrolidine, 98%; AC1MC09B; SCHEMBL83314; CHEBI:44632; CTK5D0186; (2S)-pyrrolidin-2-ylmethanamine; MolPort-003-932-494; AUKXFNABVHIUAC-YFKPBYRVSA-N; (2S)-Pyrrolidin-2-yl-methylamine; ZINC39357503

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); 100.16
  Logarithm of the Partition Coefficient (xlogp); -0.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C5H12N2
  IUPAC Name: [(2S)-pyrrolidin-2-yl]methanamine
  Canonical SMILES: C1C[C@H](NC1)CN
  InChI: InChI=1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2/t5-/m0/s1
  InChIKey: AUKXFNABVHIUAC-YFKPBYRVSA-N
• Cross-matching ID:
  PubChem CID: 2734054
  ChEBI ID: CHEBI:44632
  DrugBank ID: DB03253
  TTD ID: D07VDJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dipeptidyl peptidase 4 (DPP-4)	TTDIGC1	DPP4_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
Dipeptidyl peptidase 4 (DPP-4)	DTT	DPP4	9.54E-01	-0.27	-1.85

References

• [1] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.