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]
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
ChEBI ID
CHEMBL471036
CAS Number
86811-09-8
UNII
9980ST005G
DrugBank ID
DB15038
TTD ID
D07AHC
VARIDT ID
DR00778
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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 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) 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.