Details of the Drug

General Information of Drug (ID: DMYVBD2)

Drug Name

1,10-(methylenedi-4,1-phenylene)bismaleimide

Synonyms

Bismaleimide; 13676-54-5; Bismaleimide S; Bis(4-maleimidophenyl)methane; p,p'-Dimaleimidodiphenylmethane; Diphenylmethanebismaleimide; 4,4'-Methylenebis(N-phenylmaleimide); Bis(p-maleimidophenyl)methane; 4,4'-Diphenylmethanedimaleimide; 4,4'-Dimaleimidodiphenylmethane; 4,4'-Diphenylmethanebismaleimide; 4,4'-Biphenylmethanebismaleimide; 4,4'-Bismaleimidodiphenylmethane; 1H-Pyrrole-2,5-dione, 1,1'-(methylenedi-4,1-phenylene)bis-; 4,4'-Methylenebis(phenylmaleimide); p,p'-Methylenebis(N-phenylmaleimide)

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

358.3

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C21H14N2O4
IUPAC Name: 1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione
Canonical SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C=CC3=O)N4C(=O)C=CC4=O
InChI: InChI=1S/C21H14N2O4/c24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27/h1-12H,13H2
InChIKey: XQUPVDVFXZDTLT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 83648
CAS Number: 13676-54-5
TTD ID: D0I1WN

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 Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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.