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]
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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
TTD ID: D01FFX

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.