Details of the Drug

General Information of Drug (ID: DMGQVF5)

• Drug Name: 2,5-Dideoxy-2,5-imino-D-mannitol
• Synonyms: 59920-31-9; (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol; 2,5-Dihydroxymethyl-3,4-dihydroxypyrrolidine; CHEBI:4289; CHEMBL312653; NSC624987; NSC613239; 2(r),5(r)-bis(hydroxymethyl)-3(r),4(r)-dihydroxypyrrolidine; 2,5-Anhydro-2,5-imino-D-mannitol; DQQ; 2,5-dideoxy-2,5-imino-L-mannitol; NSC 624987; AC1L3YWM; AC1Q59GS; SCHEMBL466574; ZINC1492230; 2,5-Pyrrolidinedimethanol, 3,4-dihydroxy-, (2R,3R,4R,5R)-

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); 163.17
  Logarithm of the Partition Coefficient (xlogp); -1.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C6H13NO4
  IUPAC Name: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
  Canonical SMILES: C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O
  InChI: InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1
  InChIKey: PFYHYHZGDNWFIF-KVTDHHQDSA-N
• Cross-matching ID:
  PubChem CID: 124702
  ChEBI ID: CHEBI:4289
  CAS Number: 59920-31-9
  TTD ID: D0R5HV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Intestinal maltase-glucoamylase (MGAM)	TTXWASR	MGA_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
Intestinal maltase-glucoamylase (MGAM)	DTT	MGAM	4.59E-01	-0.02	-0.24

References

• [1] New sugar-mimic alkaloids from the pods of Angylocalyx pynaertii. J Nat Prod. 2002 Feb;65(2):198-202.