Details of the Drug

General Information of Drug (ID: DMALIQ8)

Drug Name

4-phenyl-1-(1-phenylpropyl)piperidin-4-ol

Synonyms

CHEMBL433814; 4-phenyl-1-(1-phenylpropyl)piperidin-4-ol; SCHEMBL9520650

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)

295.4

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H25NO
IUPAC Name: 4-phenyl-1-(1-phenylpropyl)piperidin-4-ol
Canonical SMILES: CCC(C1=CC=CC=C1)N2CCC(CC2)(C3=CC=CC=C3)O
InChI: InChI=1S/C20H25NO/c1-2-19(17-9-5-3-6-10-17)21-15-13-20(22,14-16-21)18-11-7-4-8-12-18/h3-12,19,22H,2,13-16H2,1H3
InChIKey: YUOJNJIUXXIUHY-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nociceptin receptor (OPRL1)	TTNT7K8	OPRX_HUMAN	Inhibitor	[1]
Opioid receptor kappa (OPRK1)	TTQW87Y	OPRK_HUMAN	Inhibitor	[1]
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Inhibitor	[1]

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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
Opioid receptor kappa (OPRK1)	DTT	OPRK1	9.17E-01	0.04	0.1

Molecular Expression Atlas (MEA)

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References

1	Bioorg Med Chem Lett. 2007 Jun 1;17(11):3023-7. Epub 2007 Mar 23.Synthesis and structure-activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 1.