ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL814
CHEMBL814
Compound Name FLUVOXAMINE
ChEMBL Synonyms LUVOX CR | FLUVOXAMINE | FLOXYFRAL | FLUVOXAMINE MALEATE | FAVERIN 50 | DU23000 | LUVOX | FAVERIN 100
Max Phase 4 (Approved)
Trade Names LUVOX CR | FLOXYFRAL | LUVOX | FAVERIN 50 | FLUVOXAMINE MALEATE | FAVERIN 100
Molecular Formula C15H21F3N2O2

Additional synonyms for CHEMBL814 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCCCC\C(=N/OCCN)\c1ccc(cc1)C(F)(F)F
Standard InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7 ...
Download InChI
Standard InChI Key CJOFXWAVKWHTFT-XSFVSMFZSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL814

Molecule Features

CHEMBL814 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Serotonin transporter inhibitor Serotonin transporter FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Panic DisorderD016584EFO:0004262panic disorder2ClinicalTrials
ClinicalTrials
Autistic DisorderD001321EFO:0003758autism3ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials
Obsessive-Compulsive DisorderD009771EFO:0004242obsessive-compulsive disorder3ClinicalTrials
ClinicalTrials
Anxiety, SeparationD001010EFO:1001916separation anxiety disorder3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
DementiaD003704HP:0000726dementia3ClinicalTrials
Phobia, SocialD000072861EFO:1001917social anxiety disorder3ClinicalTrials
AnxietyD001007EFO:0005230anxiety3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression4ATC
ClinicalTrials

Clinical Data

ClinicalTrials.gov FLUVOXAMINE
The Cochrane Collaboration FLUVOXAMINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL814. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 0.890

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 0.987
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.792
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.638
CHEMBL344 Melanin-concentrating hormone receptor 1 Homo sapiens 0.223

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
318.3 318.1555 3.2 9 56.84 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.39 3.71 1.75 1 22 0.43

Structural Alerts

There are 10 structural alerts for CHEMBL814. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06A - ANTIDEPRESSANTS
N06AB - Selective serotonin reuptake inhibitors
N06AB08 - fluvoxamine

ChemSpider ChemSpider:CJOFXWAVKWHTFT-XSFVSMFZSA-N
DailyMed fluvoxamine maleate
PubChem SID: 104171369 SID: 144204388 SID: 170464809 SID: 26751469 SID: 50103976 SID: 90340960
Wikipedia Fluvoxamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL814



ACToR 54739-18-3
BindingDB 50028091
Brenda 145967 145053 75624
ChEBI 5138
ChemicalBook CB8468990
DrugCentral 1230
eMolecules 901912
EPA CompTox Dashboard DTXSID2044002
FDA SRS O4L1XPO44W
Guide to Pharmacology 7189
KEGG Ligand C07571
MolPort MolPort-005-943-374
PDBe FVX
PubChem 5324346
PubChem: Thomson Pharma 14899201
SureChEMBL SCHEMBL33983
ZINC ZINC000003872605

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CJOFXWAVKWHTFT-XSFVSMFZSA-N spacer
spacer