General Information of the Compound
Compound ID
CP0014598
Compound Name
AMANTADINE
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Synonyms
1-Adamantamine
1-Adamantanamine
1-Adamantanamine (8CI)
1-Adamantylamine
1-Aminoadamantane
1-Aminotricyclo(3.3.1.1(sup 3,7))decane
1-adamantaneamine
768-94-5
ADAMANTANE,1-AMINO
Adamantamine
Adamantan-1-amine
Adamantan-1-ylamine
Adamantanamine
Adamantylamine
Amant
Amantadina
Amantadina [INN-Spanish]
Amantadine
Amantadine (INN)
Amantadine Base
Amantadine [INN:BAN]
Amantadinum
Amantadinum [INN-Latin]
Amantidine
Aminoadamantane
BIA4304
Endantadine
Gen-Amantadine
Gocovri
HSDB 3202
Mantadine
NSC 341865
OR14310
Pk-merz
Symadine
Symmetrel
Symmetrel (TN)
TCMDC-125869
Tricyclo(3.3.1.1(3,7))-decan-1-amine
Tricyclo(3.3.1.1(sup 3,7))decan-1-amine
Tricyclo(3.3.1.1(sup 3.7))decan-1-amine
Tricyclo(3.3.1.13,7)decan-1-amine
Tricyclo[3Tricyclo[3.3.1.1(3,7)]decan-1-amine
Tricyclo[3.3.1.1(3,7)]decan-1-ylamine
Tricyclo[3.3.1.1(3,7)]decane-1-amine
Tricyclo[3.3.1.1(sup3,7)]decan-1-amine
Tricyclo[3.3.1.1^3,7]decan-1-amine
Tricyclo[3.3.1.1~3,7~]decan-1-amine
UNII-BF4C9Z1J53
Wiregyt
adamantan-1-amine
adamantan-1-ylamine
tricyclo[3.3.1.1~3,7~]decan-1-amine
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Structure
Formula
C10H17N
Molecular Weight
151.253
Canonical SMILES
NC12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
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InChIKey
DKNWSYNQZKUICI-UHFFFAOYSA-N
CAS
768-94-5
Physicochemical Property
logP
1.9139
Rotatable Bonds
0
Heavy Atom Count
11
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
11

"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: 2130
SID: 15219251
ChEMBL ID
CHEMBL660
DrugBank ID
DB00915
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 37800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Amantadine )
Drug Name Amantadine
Indication
Influenza A virus infection
Approved
Target(s)
Influenza M2 protein (Influ M)
 Target Info 
Inhibitor
Drug 2 ( Amantidine )
Drug Name Amantidine
Indication
Influenza virus infection
Approved
Severe acute respiratory syndrome (SARS)
Investigative