Details of the Drug

General Information of Drug (ID: DMES9AJ)

Drug Name

4-Benzyl-1-indan-2-ylmethyl-piperidine

Synonyms

CHEMBL179145; 4-Benzyl-1-indan-2-ylmethyl-piperidine

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

305.5

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C22H27N
IUPAC Name: 4-benzyl-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine
Canonical SMILES: C1CN(CCC1CC2=CC=CC=C2)CC3CC4=CC=CC=C4C3
InChI: InChI=1S/C22H27N/c1-2-6-18(7-3-1)14-19-10-12-23(13-11-19)17-20-15-21-8-4-5-9-22(21)16-20/h1-9,19-20H,10-17H2
InChIKey: YMEBJHPCSQTYQZ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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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
Dopamine D2 receptor (D2R)	DTT	DRD2	2.50E-02	-0.08	-0.49

Molecular Expression Atlas (MEA)

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References

1	Synthesis and structure-activity relationships of 1-aralkyl-4-benzylpiperidine and 1-aralkyl-4-benzylpiperazine derivatives as potent sigma ligands. J Med Chem. 2005 Jan 13;48(1):266-73.