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]
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
CHEMBL127508
CAS Number
115-46-8
TTD ID
D08TBU
VARIDT ID
DR00768
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]

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]
Molecular Interaction Atlas (MIA) 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) 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.