Details of the Drug

General Information of Drug (ID: DMDKYVE)

• Drug Name: FT-0624878
• Synonyms: Cellulosepulver; DEAE-CELLULOSE; DEAE-Sephacel(R); Diethylaminoethyl cellulose; Diethylaminoethyl-Sephacel(R); SBB058705; SC-21746; cellulose; 9004-34-6; AKOS015895024; Cellulose, 2-(diethylamino)ethyl ether; Diethylaminoethyl-Sephacel(R), aqueous ethanol suspension, 40-160 mum (wet), exclusion limit ~1,000,000 Da; Express-Ion(TM) exchanger?? D free base, 60-130 mum; FT-0624878; M158
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 342.3
  Logarithm of the Partition Coefficient (xlogp); -4.7
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 8
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C12H22O11
  IUPAC Name: (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
  Canonical SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
  InChI: GUBGYTABKSRVRQ-WFVLMXAXSA-N
  InChIKey: 1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1
• Cross-matching ID:
  PubChem CID: 16211032
  CAS Number: 9004-34-6
  INTEDE ID: DR2684

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Phosphoenolpyruvate carboxykinase (pckG) Main DME	DEI2XLV	A0A1K1UGV6_RUMFL	Substrate	[1], [2]

References

• [1] Purification and characterization of phosphoenolpyruvate carboxykinase from the anaerobic ruminal bacterium Ruminococcus flavefaciens. Arch Microbiol. 1997 May;167(5):289-94.
• [2] The gut microbial community in metabolic syndrome patients is modified by diet. J Nutr Biochem. 2016 Jan;27:27-31.