Details of the Drug

General Information of Drug (ID: DMIQHYZ)

Drug Name
4-((naphthalen-2-yloxy)methyl)piperidine
Synonyms 4-[(2-Naphthyloxy)methyl]piperidine; CHEMBL453996; 4-((naphthalen-2-yloxy)methyl)piperidine; 946680-75-7; 4-[(naphthalen-2-yloxy)methyl]piperidine; CTK7D1529; ZINC14631494; BDBM50278526; AKOS000172158
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) 241.33
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H19NO
IUPAC Name
4-(naphthalen-2-yloxymethyl)piperidine
Canonical SMILES
C1CNCCC1COC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H19NO/c1-2-4-15-11-16(6-5-14(15)3-1)18-12-13-7-9-17-10-8-13/h1-6,11,13,17H,7-10,12H2
InChIKey
MUOXAGUZMVATIC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24691160
ChEBI ID
CHEMBL453996
TTD ID
D01FFX
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 3A receptor (HTR3A) TTPC4TU 5HT3A_HUMAN Inhibitor [1]
Norepinephrine transporter (NET) TTAWNKZ SC6A2_HUMAN Inhibitor [1]
Serotonin transporter (SERT) TT3ROYC SC6A4_HUMAN Inhibitor [1]
Voltage-gated potassium channel Kv11.1 (KCNH2) TTQ6VDM KCNH2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design and optimization of selective serotonin re-uptake inhibitors with high synthetic accessibility. Part 1. Bioorg Med Chem Lett. 2009 Apr 15;19(8):2329-32.