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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL41
CHEMBL41
Compound Name FLUOXETINE
ChEMBL Synonyms SELFEMRA | RANFLUTIN | PROZAC WEEKLY | FLUOXETINE HYDROCHLORIDE | SARAFEM | PROZAC 60 | LY-110140 | OLENA | FELICIUM | PROZAC | OXACTIN | Sarafem | PROZEP | Symbyax | PROZIT | FLUOXETINE | Prozac
Max Phase 4 (Approved)
Trade Names OLENA | PROZAC 60 | SARAFEM | FLUOXETINE HYDROCHLORIDE | PROZAC WEEKLY | RANFLUTIN | SELFEMRA | FLUOXETINE | PROZIT | PROZEP | OXACTIN | PROZAC | FELICIUM
Molecular Formula C17H18F3NO

Additional synonyms for CHEMBL41 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2
Standard InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7 ...
Download InChI
Standard InChI Key RTHCYVBBDHJXIQ-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • British National Formulary
  • DrugMatrix
  • MMV Pathogen Box
  • Open TG-GATEs
  • 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


CHEMBL41

Molecule Features

CHEMBL41 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture 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 DailyMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence2ClinicalTrials
Cognitive DysfunctionD060825HP:0100543cognitive impairment0ClinicalTrials
Multiple Sclerosis, Chronic ProgressiveD020528EFO:0003840chronic progressive multiple sclerosis2ClinicalTrials
Multiple System AtrophyD019578EFO:1001050multiple system atrophy2ClinicalTrials
Phobia, SocialD000072861EFO:1001917social anxiety disorder3ClinicalTrials
Bipolar DisorderD001714EFO:0000289bipolar disorder3ClinicalTrials
Hypertension, PulmonaryD006976EFO:0001361pulmonary hypertension2ClinicalTrials
Panic DisorderD016584EFO:0004262panic disorder2ClinicalTrials
ClinicalTrials
Stress Disorders, Post-TraumaticD013313EFO:0001358post-traumatic stress disorder3ClinicalTrials
StrokeD020521EFO:0000712stroke3ClinicalTrials
Autistic DisorderD001321EFO:0003758autism3ClinicalTrials
Diabetes Mellitus, Type 1D003922EFO:0001359type I diabetes mellitus0ClinicalTrials
Cerebral HemorrhageD002543EFO:0005669intracerebral hemorrhage3ClinicalTrials
Gastroesophageal RefluxD005764EFO:0003948gastroesophageal reflux disease2ClinicalTrials
Obsessive-Compulsive DisorderD009771EFO:0004242obsessive-compulsive disorder3ClinicalTrials
AnxietyD001007EFO:0005230anxiety3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression4ClinicalTrials
ATC
ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
Tobacco Use DisorderD014029EFO:0003768nicotine dependence3ClinicalTrials
FibromyalgiaD005356EFO:0005687fibromyalgia3ClinicalTrials
Marijuana AbuseD002189EFO:0004218marijuana dependence2ClinicalTrials
DementiaD003704HP:0000726dementia3ClinicalTrials
EpilepsyD004827EFO:0000474epilepsy3ClinicalTrials
ObesityD009765EFO:0001073obesity2ClinicalTrials

Clinical Data

ClinicalTrials.gov FLUOXETINE
The Cochrane Collaboration FLUOXETINE

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 CHEMBL41. 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
CHEMBL6184 Transporter Rattus norvegicus 1.000
CHEMBL222 Norepinephrine transporter Homo sapiens 1.000
CHEMBL5736 Glucagon Homo sapiens 1.000
CHEMBL228 Serotonin transporter Homo sapiens 1.000
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.995
CHEMBL313 Serotonin transporter Rattus norvegicus 0.995
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.990
CHEMBL1275221 Protein arginine N-methyltransferase 6 Homo sapiens 0.943
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.918
CHEMBL1985 Glucagon receptor Homo sapiens 0.873
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 0.608
CHEMBL5406 Histone-arginine methyltransferase CARM1 Homo sapiens 0.276



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL222 Norepinephrine transporter Homo sapiens 1.000
CHEMBL5736 Glucagon Homo sapiens 1.000
CHEMBL228 Serotonin transporter Homo sapiens 1.000
CHEMBL6184 Transporter Rattus norvegicus 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 0.999
CHEMBL1985 Glucagon receptor Homo sapiens 0.995
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.992
CHEMBL1275221 Protein arginine N-methyltransferase 6 Homo sapiens 0.991
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.959
CHEMBL238 Dopamine transporter Homo sapiens 0.947
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.893
CHEMBL5406 Histone-arginine methyltransferase CARM1 Homo sapiens 0.801
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.758
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 0.731
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.641

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
309.3 309.134 4.44 6 21.26 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.05 3.93 1.41 2 22 0.85

Structural Alerts

There are no structural alerts for CHEMBL41

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06A - ANTIDEPRESSANTS
N06AB - Selective serotonin reuptake inhibitors
N06AB03 - fluoxetine

ChemSpider ChemSpider:RTHCYVBBDHJXIQ-UHFFFAOYSA-N
DailyMed fluoxetine hydrochloride
PubChem SID: 104171153 SID: 144203695 SID: 170465374 SID: 26751973 SID: 26755310 SID: 50104648 SID: 90341619
Wikipedia Fluoxetine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL41



ACToR 52341-67-0 54910-89-3
BindingDB 30130
Brenda 4645 145052 145965
ChEBI 86990
ChemicalBook CB3361058
DrugBank DB00472
DrugCentral 1209
eMolecules 901283
EPA CompTox Dashboard DTXSID7023067
Guide to Pharmacology 203
Human Metabolome Database HMDB0014615
IBM Patent System BB5856B9C697E76A762AC7E919D855E6
LINCS LSM-1449
MolPort MolPort-001-683-482
Nikkaji J292.434J
PharmGKB PA449673
PubChem 3386
PubChem: Thomson Pharma 14874184
SureChEMBL SCHEMBL8353

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