Details of the Drug

General Information of Drug (ID: DMOEQDP)

• Drug Name: 1-Deoxy-1-Methoxycarbamido-Beta-D-Glucopyranose
• Synonyms: 1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCOPYRANOSE; CHEMBL134529; CR1; AC1L9IGO; Carbamic acid, N-beta-D-glucopyranosyl-, methyl ester; BDBM50363873; DB03657; 188679-87-0; N-(methoxycarbonyl)-beta-D-glucopyranosylamine; methyl N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 237.21
  Logarithm of the Partition Coefficient (xlogp); -1.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C8H15NO7
  IUPAC Name: methyl N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
  Canonical SMILES: COC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
  InChI: InChI=1S/C8H15NO7/c1-15-8(14)9-7-6(13)5(12)4(11)3(2-10)16-7/h3-7,10-13H,2H2,1H3,(H,9,14)/t3-,4-,5+,6-,7-/m1/s1
  InChIKey: IZZJOGWXTFEDLL-XUUWZHRGSA-N
• Cross-matching ID:
  PubChem CID: 445722
  CAS Number: 188679-87-0
  DrugBank ID: DB03657
  TTD ID: D0J6KJ

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 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

References

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