MEMANTINE

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Synonyms
Status
Molecule Category Free-form
ATC N06DX01
UNII W8O17SJF3T
EPA CompTox DTXSID5045174

Structure

InChI Key BUGYDGFZZOZRHP-UHFFFAOYSA-N
Smiles CC12CC3CC(C)(C1)CC(N)(C3)C2
InChI
InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21N
Molecular Weight 179.31
AlogP 2.69
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 4.9 - - 8.5
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- - - - 18
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 0.95-911 - 540-700 41
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 58.6
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.95-911 - 540-540 18-58.6
Mus musculus
- - - - 5.2-92.5
Rattus norvegicus
- - - - 8.5-41
Sus scrofa
- - - 429-740 -

Related Entries

Cross References

Resources Reference
ChEBI 64312
ChEMBL CHEMBL807
DrugBank DB01043
DrugCentral 1679
FDA SRS W8O17SJF3T
Human Metabolome Database HMDB0015177
Guide to Pharmacology 4253
KEGG C13736
PharmGKB PA10364
PubChem 4054
SureChEMBL SCHEMBL2688
CONTENTS