General Information of the Compound
Compound ID
CP0001487
Compound Name
3,5-Dimethyl-adamantan-1-ylamine
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Synonyms
Memantine
Memantine (extended release)
Memantine (extended release), Forest
Memantine ER
Namenda XR
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Structure
Formula
C12H21N
Molecular Weight
179.307
Canonical SMILES
CC12CC3CC(C)(C1)CC(N)(C3)C2
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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
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InChIKey
BUGYDGFZZOZRHP-UHFFFAOYSA-N
CAS
51052-62-1
19982-08-2
Physicochemical Property
logP
2.6941
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
13

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 4054
SID: 15147301
ChEMBL ID
CHEMBL807
DrugBank ID
DB01043
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00820, Acetylcholinesterase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 6561.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 27200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Memantine )
Drug Name Memantine
Company Merz & Co GmbH
Indication
Alzheimer disease
Approved