Details of the Drug

General Information of Drug (ID: DMKZRBP)

Drug Name

LITOXETINE

Synonyms

Litoxetine; 86811-09-8; 4-(2-Naphthylmethoxy)piperidine; UNII-9980ST005G; CHEMBL471036; 9980ST005G; Litoxetinum; Litoxetina; Litoxetine [INN]; Litoxetinum [INN-Latin]; Litoxetina [INN-Spanish]; AC1L23OW; SCHEMBL119884; ZINC3647; CTK3E8854; DTXSID30235828; BDBM50278564; 4-(naphthalen-2-ylmethoxy)piperidine

Indication

Disease Entry	ICD 11	Status	REF
Mood disorder	6A60-6E23	Phase 3	[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)

2.9

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-ylmethoxy)piperidine
Canonical SMILES: C1CNCCC1OCC2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2
InChIKey: MJJDYOLPMGIWND-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 65650
CAS Number: 86811-09-8
DrugBank ID: DB15038
TTD ID: D07AHC
VARIDT ID: DR00778

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 3 receptor (5HT3R)	TTNXLKE	NOUNIPROTAC	Modulator	[2]
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Mood disorder

ICD Disease Classification

6A60-6E23

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Serotonin transporter (SERT)	DTT	SLC6A4	8.76E-01	7.18E-05	6.19E-04

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001264)
2	Litoxetine: a selective 5-HT uptake inhibitor with concomitant 5-HT3 receptor antagonist and antiemetic properties. Eur J Pharmacol. 1993 Mar 2;232(2-3):139-45.