Details of the Drug

General Information of Drug (ID: DMUYPMO)

Drug Name

4-(2-(aminomethyl)phenyl)-1-benzylpiperidin-4-ol

Synonyms

CHEMBL234581; 4-(2-(aminomethyl)phenyl)-1-benzylpiperidin-4-ol

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): 0

Molecular Weight (mw)

296.4

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H24N2O
IUPAC Name: 4-[2-(aminomethyl)phenyl]-1-benzylpiperidin-4-ol
Canonical SMILES: C1CN(CCC1(C2=CC=CC=C2CN)O)CC3=CC=CC=C3
InChI: InChI=1S/C19H24N2O/c20-14-17-8-4-5-9-18(17)19(22)10-12-21(13-11-19)15-16-6-2-1-3-7-16/h1-9,22H,10-15,20H2
InChIKey: RPBRGKBDJGSAFB-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
Nociceptin receptor (OPRL1)	DTT	OPRL1	1.75E-01	0.05	0.25

Molecular Expression Atlas (MEA)

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References

1	Bioorg Med Chem Lett. 2007 Jun 1;17(11):3028-33. Epub 2007 Mar 21.Synthesis and structure-activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 2.