Details of the Drug

General Information of Drug (ID: DMB5VQK)

• Drug Name: 1,4-dideoxy-1,4-imino-D-arabinito
• Synonyms: 1,4-dideoxy-1,4-imino-d-arabinitol; imino-D-arabinitol; CHEMBL80254; 3,4-Pyrrolidinediol, 2-(hydroxymethyl-14C)-, (2R,3R,4R)-; (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol; 259140-24-4; (2R,3R,4R)-2-Hydroxymethyl-pyrrolidine-3,4-diol; BDBM50031485; AC1L9PZY; 100937-52-8; DAB-1; Lopac0_000366; MLS002153179; SCHEMBL143519; CHEMBL305131; DTXSID10180589; OQEBIHBLFRADNM-UOWFLXDJSA-N; HMS2233K17; ZINC1492250; 1,4-Dideoxy-1,4-imino-arabinitol; BDBM50016703

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: (2R,3R,4R)-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-/m1/s1
  InChIKey: OQEBIHBLFRADNM-UOWFLXDJSA-N
• Cross-matching ID:
  PubChem CID: 451991
  CAS Number: 259140-24-4
  TTD ID: D0GS0O

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.