Details of the Drug

General Information of Drug (ID: DMD2TPA)

• Drug Name: Alpha-D-Glucopyranosyl-2-Carboxylic Acid Amide
• Synonyms: ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE; CHEMBL135302; GLG; AC1L9IMU; SCHEMBL5961308; 3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid amide; (alpha-D-Glucopyranosyl)formamide; BDBM50306562; DB02720; (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide; (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide; (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred name)

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 207.18
  Logarithm of the Partition Coefficient (xlogp); -2.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C7H13NO6
  IUPAC Name: (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
  Canonical SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)N)O)O)O)O
  InChI: InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5-,6+/m1/s1
  InChIKey: UKWLGCFJAVEFPE-DVKNGEFBSA-N
• Cross-matching ID:
  PubChem CID: 445825
  CAS Number: 58825-13-1
  DrugBank ID: DB02720
  TTD ID: D03WQK

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.