Details of the Drug

General Information of Drug (ID: DM527XP)

Drug Name
D-Gluconhydroximo-1,5-Lactam
Synonyms
D-GLUCONHYDROXIMO-1,5-LACTAM; CHEMBL1213470; (Z)-D-Gluconhydroximo-1,5-lactam; GOX; (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL; CID445248; GHIL; 1e6s; AC1L9HO3; BDBM36390; 3d51; 2j78; BDBM50120840; DB02376; (Z)-D-Gluconhydroximo-1,5-lactam, 15; (2Z,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one oxime
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) 192.17
Logarithm of the Partition Coefficient (xlogp) -2.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C6H12N2O5
IUPAC Name
(2R,3R,4S,5S)-6-(hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(=N1)NO)O)O)O)O
InChI
InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5-/m1/s1
InChIKey
VBXHGXTYZGYTQG-SQOUGZDYSA-N
Cross-matching ID
PubChem CID
445248
ChEBI ID
CHEMBL1213470
DrugBank ID
DB02376
TTD ID
D0R2BA
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.