Details of the Drug

General Information of Drug (ID: DM9QTWB)

• Drug Name: 1-Biphenyl-4-ylmaleimide
• Synonyms: N-(4-Biphenylyl)maleimide; MALEIMIDE, N-4-BIPHENYLYL-; BRN 0183921; 58609-75-9; AI3-02979; CHEMBL567545; 1-(4-phenylphenyl)pyrrole-2,5-dione; 1H-Pyrrole-2,5-dione, 1-(1,1'-biphenyl)-4-yl-; 1-Biphenyl-4-ylmaleimide; Cyto6B10; Maybridge3_004857; AC1L28LA; CBDivE_004932; 4-21-00-04634 (Beilstein Handbook Reference); SCHEMBL9719419; DTXSID30207328; MolPort-000-929-072; HMS1444M17; ZINC186459; STK003872; BDBM50300341; AKOS000296044; MCULE-5728148499; IDI1_016244; LS-88673

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); 249.26
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H11NO2
  IUPAC Name: 1-(4-phenylphenyl)pyrrole-2,5-dione
  Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)N3C(=O)C=CC3=O
  InChI: InChI=1S/C16H11NO2/c18-15-10-11-16(19)17(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H
  InChIKey: RXWKCYQPTDVVSI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 42797
  CAS Number: 58609-75-9
  TTD ID: D0F1BD

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.