Details of the Drug

General Information of Drug (ID: DMF87Z5)

Drug Name
1-N-Acetyl-Beta-D-Glucosamine
Synonyms
1-N-ACETYL-BETA-D-GLUCOSAMINE; N-Acetyl-beta-D-glucopyranosylamine; CHEMBL335315; N-beta-D-Glucopyranosylacetamide; NBG; 6983-36-4; Acetamide, N-beta-D-glucopyranosyl-; 2prj; AC1L9HVU; SCHEMBL4388634; n-acetyl-b-d-glucopyranosylamine; BDBM50240802; DB02320; N-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetamide; N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
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) 221.21
Logarithm of the Partition Coefficient (xlogp) -1.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C8H15NO6
IUPAC Name
N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
Canonical SMILES
CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
InChIKey
IBONACLSSOLHFU-JAJWTYFOSA-N
Cross-matching ID
PubChem CID
445382
CAS Number
6983-36-4
DrugBank ID
DB02320
TTD ID
D0I9PG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glycogen phosphorylase muscle form (GP) TTZHY6R PYGM_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glycogen phosphorylase muscle form (GP) DTT PYGM 2.69E-01 -0.23 -0.14
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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