Details of the Drug

General Information of Drug (ID: DMO4XUC)

Drug Name

Diphenyl(piperidin-4-yl)methanol

Synonyms

Azacyclonol; 115-46-8; diphenyl(piperidin-4-yl)methanol; alpha,alpha-diphenyl-4-piperidinomethanol; Frenquel; alpha,alpha-Diphenyl-4-piperidinemethanol; alpha-(4-Piperidyl)benzhydrol; gamma-Pipradol; Calmeran; Ataractan; Diphenyl-piperidin-4-yl-methanol; Diphenyl(4-piperidinyl)methanol; 4-Piperidinemethanol, alpha,alpha-diphenyl-; Azaciclonolo [DCIT]; Azacyklonol; Psychosan; MER 17; Frenoton; Azacyclonol [INN:BAN]; UNII-2MMR990PEM; Azacyclonolum [INN-Latin]; EINECS 204-092-5; Diphenyl-4-piperidylmethanol; BRN 0230221; 2MMR990PEM

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)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H21NO
IUPAC Name: diphenyl(piperidin-4-yl)methanol
Canonical SMILES: C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI: InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2
InChIKey: ZMISODWVFHHWNR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 15723
ChEBI ID: CHEBI:93706
CAS Number: 115-46-8
TTD ID: D08TBU
VARIDT ID: DR00768

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H1 receptor (H1R)	TTTIBOJ	HRH1_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
ATP-dependent translocase ABCB1 (ABCB1)	OTEJROBO	MDR1_HUMAN	Regulation of Drug Effects	[2]

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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
Histamine H1 receptor (H1R)	DTT	HRH1	6.74E-01	0.13	0.43

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Structural determinants for histamine H(1) affinity, hERG affinity and QTc prolongation in a series of terfenadine analogs. Bioorg Med Chem Lett. 2009 Sep 1;19(17):5043-7.
2	Interplay between CYP3A-mediated metabolism and polarized efflux of terfenadine and its metabolites in intestinal epithelial Caco-2 (TC7) cell monolayers. Pharm Res. 1999 May;16(5):625-32. doi: 10.1023/a:1018851919674.