Details of the Drug

General Information of Drug (ID: DMS9RDW)

Drug Name
N-(1-(4-bromobenzyl)piperidin-4-yl)-2-naphthamide
Synonyms CHEMBL234472; N-(1-(4-bromobenzyl)piperidin-4-yl)-2-naphthamide
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): 1 Molecular Weight (mw) 423.3
Logarithm of the Partition Coefficient (xlogp) 5.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C23H23BrN2O
IUPAC Name
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide
Canonical SMILES
C1CN(CCC1NC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C23H23BrN2O/c24-21-9-5-17(6-10-21)16-26-13-11-22(12-14-26)25-23(27)20-8-7-18-3-1-2-4-19(18)15-20/h1-10,15,22H,11-14,16H2,(H,25,27)
InChIKey
WZCSZVSNRKEGGN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44431481
TTD ID
D05LJF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Inhibitor [1]
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
5-HT 2A receptor (HTR2A) DTT HTR2A 1.68E-01 -0.3 -0.14
5-HT 2A receptor (HTR2A) DTT HTR2A 5.59E-01 0.15 0.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and in vitro binding studies of substituted piperidine naphthamides. Part II: Influence of the substitution on the benzyl moiety on the a... Bioorg Med Chem Lett. 2007 Mar 15;17(6):1570-4.