Details of the Drug

General Information of Drug (ID: DMMNH4K)

Drug Name

1'-Benzyl-3-phenyl-[3,4']bipiperidinyl-2,6-dione

Synonyms

Benzetimidum; 14051-33-3; Benzetimide [INN]; 5633-14-7; CHEMBL10272; Benzetimide (INN); NCGC00160474-01; 2-(1-Benzyl-4-piperidyl)-2-phenylglutarimide; Dexbenzetimide; 119391-55-8; Dextrobenzetimide; Benzezimida; Benzetimidum [INN-Latin]; 2-[1-BENZYL-4-PIPERIDYL]-2-PHENYLGLUTARIMIDE; Benzezimida [INN-Spanish]; [3,4'-Bipiperidine]-2,6-dione, 3-phenyl-1'-(phenylmethyl)-, (S)-; Benzetimide(hydrochloride); 1''-Benzyl-3-phenyl-[3,4'']bipiperidinyl-2,6-dione; AC1L2J7P; DSSTox_RID_81404; DSSTox_CID_26173

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)

362.5

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C23H26N2O2
IUPAC Name: 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione
Canonical SMILES: C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)
InChIKey: LQQIVYSCPWCSSD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 21847
CAS Number: 14051-33-3
TTD ID: D05EML

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M1 (CHRM1)	TTZ9SOR	ACM1_HUMAN	Inhibitor	[1]
Muscarinic acetylcholine receptor M2 (CHRM2)	TTYEG6Q	ACM2_HUMAN	Inhibitor	[1]
Muscarinic acetylcholine receptor M3 (CHRM3)	TTQ13Z5	ACM3_HUMAN	Inhibitor	[1]
Muscarinic acetylcholine receptor M4 (CHRM4)	TTQ3JTF	ACM4_HUMAN	Inhibitor	[1]
Muscarinic acetylcholine receptor M5 (CHRM5)	TTH18TF	ACM5_HUMAN	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
Muscarinic acetylcholine receptor M1 (CHRM1)	DTT	CHRM1	5.59E-01	0.19	0.41
Muscarinic acetylcholine receptor M2 (CHRM2)	DTT	CHRM2	5.59E-01	0.19	0.41

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Synthesis and biological evaluation of [125I]- and [123I]-4-iododexetimide, a potent muscarinic cholinergic receptor antagonist. J Med Chem. 1989 May;32(5):1057-62.