Details of the Drug

General Information of Drug (ID: DMJ8F60)

Drug Name

1-benzhydryl-4-(pyridin-2-yl)piperidin-4-ol

Synonyms

CHEMBL393971; 1-benzhydryl-4-(pyridin-2-yl)piperidin-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)

344.4

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C23H24N2O
IUPAC Name: 1-benzhydryl-4-pyridin-2-ylpiperidin-4-ol
Canonical SMILES: C1CN(CCC1(C2=CC=CC=N2)O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H24N2O/c26-23(21-13-7-8-16-24-21)14-17-25(18-15-23)22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,22,26H,14-15,17-18H2
InChIKey: RQPLUPANAPAMMF-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):3028-33. Epub 2007 Mar 21.Synthesis and structure-activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 2.