Details of the Drug

General Information of Drug (ID: DMSR4A6)

• Drug Name: N-adamantanemethyloxypentyl-1-deoxynojirimycin
• Synonyms: AMP-Deoxynojirimycin; AMP-DNM; 216758-20-2; CHEMBL574645; N-adamantanemethyloxypentyl-1-deoxynojirimycin; SCHEMBL17132950; SCHEMBL13777990; CTK4E7471; MolPort-044-562-021; ZINC33989734; BDBM50299749; 1613AH; AKOS030538164; RT-011277; N-(Adamantanemethyloxypentyl)-Deoxynojirimycin; J-014228; (2R,3R,4R,5S)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol; 3,4,5-PIPERIDINETRIOL, 2-(HYDROXYMETHYL)-1-[5-(TRICYCLO[3.3.1.13,7]DEC-1-YLMETHOXY)PENTYL]-, (2R,3R,4R,5S)-

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); 397.5
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C22H39NO5
  IUPAC Name: (2R,3R,4R,5S)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
  Canonical SMILES: C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC23CC4CC(C2)CC(C4)C3)CO)O)O)O
  InChI: InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
  InChIKey: XVYLNHVEAOOEGI-FAIWKWDXSA-N
• Cross-matching ID:
  PubChem CID: 9822159
  TTD ID: D0N9IX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysosomal alpha-glucosidase (GAA)	TTLPC70	LYAG_HUMAN	Inhibitor	[1]

References

• [1] Synthesis and evaluation of D-gluco-pyranocyclopropyl amines as potential glucosidase inhibitors. Bioorg Med Chem Lett. 2009 Dec 1;19(23):6600-3.