Details of the Drug

General Information of Drug (ID: DMWEKBD)

• Drug Name: Phenyl-1,4-bismaleimide
• Synonyms: 3278-31-7; N,N'-1,4-Phenylenedimaleimide; N,N'-p-Phenylenedimaleimide; N,N'-4-Phenylenedimaleimide; phenyl-1,4-bismaleimide; UNII-BEC7P1E6J1; 1,1'-(1,4-phenylene)bis(1h-pyrrole-2,5-dione); BEC7P1E6J1; n,n-1,4-phenylenedimaleimide; CHEMBL576594; 1,1'-Benzene-1,4-diylbis(1H-pyrrole-2,5-dione); 1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione; NSC81257; EINECS 221-910-6; NSC 81257; p-PDM; 1,4-Dimaleimidobenzene; ACMC-209hvr; AC1Q6MZN; 1,4-phenylene dimaleimide; 1,4-bis(maleimido)benzene; AC1L2RM9; SCHEMBL95324

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); 268.22
  Logarithm of the Partition Coefficient (xlogp); 0.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H8N2O4
  IUPAC Name: 1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
  Canonical SMILES: C1=CC(=CC=C1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O
  InChI: InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H
  InChIKey: AQGZJQNZNONGKY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 76765
  CAS Number: 3278-31-7
  TTD ID: D0A5OS

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.