Details of the Drug

General Information of Drug (ID: DMNTELW)

Drug Name

1-benzyl-4-phenylpiperidin-4-ol

Synonyms

1-Benzyl-4-phenylpiperidin-4-ol; 63843-83-4; 1-Benzyl-4-phenyl-4-piperidinol; 4-Piperidinol, 1-benzyl-4-phenyl-; 1-Benzyl-4-phenyl-piperidin-4-ol; EINECS 264-512-8; 1-benzyl-4-hydroxy-4-phenylpiperidine; 1-benzyl-4-hydroxy-4-phenyl piperidine; BRN 0235839; CHEMBL230141; F1446-0078; NSC116051; AC1L3YAO; Oprea1_213406; Oprea1_173104; SCHEMBL1411499; AC1Q7B56; CTK5B9985; DTXSID60213290; MolPort-001-954-320; FCLMXEAPEVBCKQ-UHFFFAOYSA-N; ZINC320034; HMS1672E06; BCP13431; ANW-45516; BDBM50210409; STK081775; AKOS000541462

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)

267.4

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H21NO
IUPAC Name: 1-benzyl-4-phenylpiperidin-4-ol
Canonical SMILES: C1CN(CCC1(C2=CC=CC=C2)O)CC3=CC=CC=C3
InChI: InChI=1S/C18H21NO/c20-18(17-9-5-2-6-10-17)11-13-19(14-12-18)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2
InChIKey: FCLMXEAPEVBCKQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 97333
CAS Number: 63843-83-4
TTD ID: D0TJ7R

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]

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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
Nociceptin receptor (OPRL1)	DTT	OPRL1	1.75E-01	0.05	0.25

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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.