General Information of the Compound
Compound ID
CP0076946
Compound Name
(alpha-methyl-1-adamantyl)methylamine
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Synonyms
1-(1-Adamantyl)ethanamine
1-(1-Adamantyl)ethylamin
1-(1-adamantyl)-ethylamine
1-(1-adamantyl)ethylamine
1-(adamantan-1-yl)ethan-1-amine
1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanamine
1-Adamantan-1-yl-ethylamine
1-Adamantan-1-ylethylamine
1-tricyclo[3.3.1.1~3,7~]dec-1-ylethanamine
Alpha-Methyl-1-adamantanemethylamine
Alpha-Methyladamantanemethylamine
BRN 2715740
CHEMBL959
Enamine_005755
Flumadine (TN)
HSDB 7438
RIMANTADIN
Remantadine
Riamantadine
Rimant
Rimant & .alpha. IFN
Rimantadina
Rimantadina [INN-Spanish]
Rimantadine
Rimantadine (INN)
Rimantadine [INN:BAN]
Rimantadinum
Rimantadinum [INN-Latin]
Rimantidine & .alpha.IFN
Tricyclo(3.3.1.1^3,7)decane-1-methanamine, .alpha.-methyl-& IFN.alpha
alpha-Methyladamantanemethylamine
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Structure
Formula
C12H21N
Molecular Weight
179.307
Canonical SMILES
CC(N)C12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
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InChIKey
UBCHPRBFMUDMNC-UHFFFAOYSA-N
CAS
13392-28-4
Physicochemical Property
logP
2.55
Rotatable Bonds
1
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: 5071
SID: 15219656
ChEMBL ID
CHEMBL959
DrugBank ID
DB00478
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: PT05367, Multidrug and toxin extrusion protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 7300 nM
   TI
   LI
   LO
   TS
Protein ID: PT01174, Polymerase acidic protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 11000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04591, Solute carrier family 22 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4400 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
CC50 = 62000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Rimantadine )
Drug Name Rimantadine
Company Forest Laboratories Inc
Indication
Influenza A virus infection
Approved
Target(s)
Influenza M2 protein (Influ M)
Inhibitor
Drug 2 ( Rimantadine )
Drug Name Rimantadine
Indication
Influenza virus infection
Approved
Severe acute respiratory syndrome (SARS)
Investigative