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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL807
CHEMBL807
Compound Name MEMANTINE
ChEMBL Synonyms AKATINOL | NAMENDA | MEMANTINE HYDROCHLORIDE | Namenda | NEMDATINE | EBIXA | VALIOS | NAMENDA XR | MARIXINO | MEMANTINE
Max Phase 4 (Approved)
Trade Names AKATINOL | EBIXA | MEMANTINE HYDROCHLORIDE | NAMENDA | MARIXINO | NAMENDA XR | VALIOS | MEMANTINE | NEMDATINE
Molecular Formula C12H21N

Additional synonyms for CHEMBL807 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC12CC3CC(C)(C1)CC(N)(C3)C2
Standard InChI InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H, ...
Download InChI
Standard InChI Key BUGYDGFZZOZRHP-UHFFFAOYSA-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


CHEMBL807

Molecule Features

CHEMBL807 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:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Glutamate [NMDA] receptor negative allosteric modulator Glutamate [NMDA] receptor FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Alcohol DrinkingD000428EFO:0004329alcohol drinking2ClinicalTrials
AnxietyD001007EFO:0005230anxiety3ClinicalTrials
Glaucoma, Open-AngleD005902EFO:0004190open-angle glaucoma3ClinicalTrials
Anemia, Sickle CellD000755Orphanet:232Sickle cell anemia2ClinicalTrials
Brain NeoplasmsD001932EFO:0003833brain neoplasm1ClinicalTrials
Child Development Disorders, PervasiveD002659EFO:0003756autism spectrum disorder3ClinicalTrials
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence2ClinicalTrials
Cognitive DysfunctionD060825HP:0100543cognitive impairment2ClinicalTrials
Heroin DependenceD006556EFO:0004240heroin dependence2ClinicalTrials
Huntington DiseaseD006816Orphanet:399Huntington disease2ClinicalTrials
Substance-Related DisordersD019966EFO:0003890drug dependence3ClinicalTrials
Psychotic DisordersD011618EFO:0005411schizoaffective disorder2ClinicalTrials
AlcoholismD000437EFO:0003829alcohol dependence2ClinicalTrials
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease3ClinicalTrials
Amyotrophic Lateral SclerosisD000690EFO:0000253amyotrophic lateral sclerosis2ClinicalTrials
DementiaD003704HP:0000726dementia3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
FibromyalgiaD005356EFO:0005687fibromyalgia3ClinicalTrials
NeuralgiaD009437EFO:0005762neuropathic pain3ClinicalTrials
Obsessive-Compulsive DisorderD009771EFO:0004242obsessive-compulsive disorder2ClinicalTrials
Opioid-Related DisordersD009293EFO:0005611opioid dependence2ClinicalTrials
Tobacco Use DisorderD014029EFO:0003768nicotine dependence1ClinicalTrials
Frontotemporal DementiaD057180Orphanet:282Frontotemporal dementia3ClinicalTrials
Bipolar DisorderD001714EFO:0000289bipolar disorder3ClinicalTrials
GliomaD005910EFO:0000326central nervous system cancer2ClinicalTrials
Multiple SclerosisD009103EFO:0003885multiple sclerosis3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
Autistic DisorderD001321EFO:0003758autism2ClinicalTrials
GlioblastomaD005909EFO:0000519glioblastoma multiforme2ClinicalTrials
ObesityD009765EFO:0001073obesity1ClinicalTrials
GamblingD005715EFO:0004699gambling behaviour2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer3ClinicalTrials
PainD010146EFO:0003843pain3ClinicalTrials

Clinical Data

ClinicalTrials.gov MEMANTINE
The Cochrane Collaboration MEMANTINE

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 CHEMBL807. 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
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.475
CHEMBL2888 Metabotropic glutamate receptor 3 Homo sapiens 0.347
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.269

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.574
CHEMBL338 Dopamine transporter Rattus norvegicus 0.431
CHEMBL2888 Metabotropic glutamate receptor 3 Homo sapiens 0.354
CHEMBL4573 Metabotropic glutamate receptor 6 Homo sapiens 0.349
CHEMBL233 Mu opioid receptor Homo sapiens 0.320

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
179.3 179.1674 2.69 0 26.02 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.79 3 .08 0 13 0.61

Structural Alerts

There are 1 structural alerts for CHEMBL807. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06D - ANTI-DEMENTIA DRUGS
N06DX - Other anti-dementia drugs
N06DX01 - memantine

ChemSpider ChemSpider:BUGYDGFZZOZRHP-UHFFFAOYSA-N
DailyMed memantine hydrochloride
PubChem SID: 104171191 SID: 144203750 SID: 170464999 SID: 26751885 SID: 50104569 SID: 90341818
Wikipedia Memantine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL807



ACToR 19982-08-2
BindingDB 50062599
Brenda 72165
ChEBI 64312
ChemicalBook CB7436657
DrugBank DB01043
DrugCentral 1679
eMolecules 902095
EPA CompTox Dashboard DTXSID5045174
FDA SRS W8O17SJF3T
Guide to Pharmacology 4253
Human Metabolome Database HMDB0015177
IBM Patent System B31B35983DF7F60359C308E4A2120781
KEGG Ligand C13736
LINCS LSM-5154
Mcule MCULE-3726352671
MolPort MolPort-002-041-858
PharmGKB PA10364
PubChem 4054
PubChem: Thomson Pharma 15147301
SureChEMBL SCHEMBL2688

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