Details of the Drug

General Information of Drug (ID: DM7MUZ1)

• Drug Name: 2-Hydroxymethyl-Pyrrolidine-3,4-Diol
• Synonyms: 2-(Hydroxymethyl)-[2R-(2a,3b,4b)]-3,4-Pyrrolidinediol; 2-(Hydroxymethyl)-(2R-(2a,3b,4b))-3,4-Pyrrolidinediol; ACMC-20m9e3; ACMC-20m1d3; ACMC-20m9e4; 3,4-Pyrrolidinediol,2-(hydroxymethyl)-, (2S,3S,4R)-; 3,4-Pyrrolidinediol,2-(hydroxymethyl)-, (2R,3R,4S)-; AC1L1B8Z; 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3S,4S)-; SCHEMBL981088; CTK8A3364; 1,4-dideoxy-1,4-iminopentitol; OQEBIHBLFRADNM-UHFFFAOYSA-N; HMS3373I18; IMR; 97058-12-3

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); 133.15
  Logarithm of the Partition Coefficient (xlogp); -1.7
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C5H11NO3
  IUPAC Name: (2S,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol
  Canonical SMILES: C1[C@@H]([C@H]([C@@H](N1)CO)O)O
  InChI: InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1
  InChIKey: OQEBIHBLFRADNM-YUPRTTJUSA-N
• Cross-matching ID:
  PubChem CID: 127716
  CAS Number: 100937-53-9
  DrugBank ID: DB03411
  TTD ID: D06KVV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Purine nucleoside phosphorylase (PNP)	TTMCF1Y	PNPH_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
Purine nucleoside phosphorylase (PNP)	DTT	PNP	3.67E-04	1.95	2.55

References

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