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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL574645
TTD ID
D0N9IX
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.