Details of the Drug

General Information of Drug (ID: DMKJGTH)

• Drug Name: 1,8-bis-maleimidodiethyleneglycol
• Synonyms: 115597-84-7; UNII-R20U86RE9F; 1,8-bis-maleimidodiethyleneglycol; 1,8-Bis(maleimido)-3,6-dioxaoctane; CHEMBL575383; R20U86RE9F; 2,2'-(Ethylenedioxy)bis(ethylmaleimide); Liqwd; 1H-Pyrrole-2,5-dione, 1,1'-(1,2-ethanediylbis(oxy-2,1-ethanediyl))bis-; Bis-(maleimidoethoxy) ethane; BM(peg)2; 1,1'-[ethane-1,2-Diylbis(Oxyethane-2,1-Diyl)]bis(1h-Pyrrole-2,5-Dione); 1H-Pyrrole-2,5-dione, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)]bis-; 1,2-bis(2-maleimidoethoxy)ethane; Bis-(maleimidoethoxy) ethane [INCI]; AC1MVX1G; SCHEMBL349749

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); 308.29
  Logarithm of the Partition Coefficient (xlogp); -1.6
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C14H16N2O6
  IUPAC Name: 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
  Canonical SMILES: C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O
  InChI: InChI=1S/C14H16N2O6/c17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20/h1-4H,5-10H2
  InChIKey: FERLGYOHRKHQJP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3690297
  CAS Number: 115597-84-7
  TTD ID: D0C3JV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid amide hydrolase (FAAH)	TTDP1UC	NOUNIPROTAC	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
Fatty acid amide hydrolase (FAAH)	DTT	NO-GeName	2.65E-01	0.02	0.1

References

• [1] Synthesis and in vitro evaluation of N-substituted maleimide derivatives as selective monoglyceride lipase inhibitors. J Med Chem. 2009 Dec 10;52(23):7410-20.