General Information of Drug (ID: DMBZIG7)

Drug Name
4,6-Dideoxy-4-Amino-Alpha-D-Glucose
Synonyms 4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE; AC1L9FSA; SCHEMBL1543515; DB03439; 4-amino-4,6-dideoxy-alpha-d-glucopyranose; AGL; (2S,3R,4S,5S,6R)-5-amino-6-methyloxane-2,3,4-triol
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): 1 Molecular Weight (mw) 163.17
Logarithm of the Partition Coefficient (xlogp) -2.3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C6H13NO4
IUPAC Name
(2S,3R,4S,5S,6R)-5-amino-6-methyloxane-2,3,4-triol
Canonical SMILES
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N
InChI
InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1
InChIKey
RJKBJEZZABBYBA-DVKNGEFBSA-N
Cross-matching ID
PubChem CID
444139
DrugBank ID
DB03439
TTD ID
D0Y9RY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Pancreatic alpha-amylase (AMY2A) TTCGSZ4 AMYP_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.