Details of the Drug

General Information of Drug (ID: DMKP7O0)

Drug Name
2,5-dideoxy-2,5-imino-dl-glycero-D-manno-heptitol
Synonyms CHEMBL456077; 2,5-dideoxy-2,5-imino-dl-glycero-D-manno-heptitol; 2,5-dideoxy-2,5-imino-D-glycero-D-manno-heptitol; SCHEMBL5851667; BDBM50242071
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): 2 Molecular Weight (mw) 193.2
Logarithm of the Partition Coefficient (xlogp) -2.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C7H15NO5
IUPAC Name
(2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@H](N1)C(CO)O)O)O)O
InChI
InChI=1S/C7H15NO5/c9-1-3-6(12)7(13)5(8-3)4(11)2-10/h3-13H,1-2H2/t3-,4?,5-,6-,7-/m1/s1
InChIKey
ZJRUOSSQTZGFJV-UHEPRFFZSA-N
Cross-matching ID
PubChem CID
13005892
TTD ID
D0R5RE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lactase-phlorizin hydrolase (LCT) TTA0OSE LPH_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Nitrogen-containing furanose and pyranose analogues from Hyacinthus orientalis. J Nat Prod. 1998 May;61(5):625-8.