AMANTADINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC N04BB01
UNII BF4C9Z1J53
EPA CompTox DTXSID8022117

Structure

InChI Key DKNWSYNQZKUICI-UHFFFAOYSA-N
Smiles NC12CC3CC(CC(C3)C1)C2
InChI
InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17N
Molecular Weight 151.25
AlogP 1.91
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Other ion channel Miscellaneous ion channel Type A influenza virus matrix-2 channel family
660-660 - 320 - 10.8-95
Membrane receptor
- - - 20.25 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 10-26.4
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - 20.25 -
Escherichia coli
- - - - 100
H3N2 subtype
- 630 - - -
Hepatitis A virus
- - - - 55
Homo sapiens
- - - - 5-26.4
Influenza A virus
30-800 - - - 85
Influenza A virus (A/California/07/2009(H1N1))
- - - - 2-75
Influenza A virus (A/Hong Kong/7/1987(H3N2))
140-840 - - - -
Influenza A virus (A/NWS/1933(H1N1))
- - - - 77
Influenza A virus (A/Puerto Rico/8/1934(H1N1))
40 - - - -
Influenza A virus (A/Taiwan/1/1986(H1N1))
600 - - - -
Influenza A virus (A/WSN/1933(H1N1))
480 270 - - -
Influenza A virus (A/chicken/FPV/Weybridge(H7N7))
- - 320 - -
Influenza A virus (A/udorn/1972(H3N2))
100-780 - - - 10.8-95
Influenza A virus H3N2
- 500 - - -
Mus musculus
- - - - 2.76-84.6
Rattus norvegicus
- - - - 83.1-86.13
influenza A virus
230-660 820 - - 24.3-93.8

Related Entries

Cross References

Resources Reference
ChEBI 2618
ChEMBL CHEMBL660
DrugBank DB00915
DrugCentral 144
FDA SRS BF4C9Z1J53
Human Metabolome Database HMDB0015051
Guide to Pharmacology 4128
KEGG C06818
PharmGKB PA448360
PubChem 2130
SureChEMBL SCHEMBL4098
ZINC ZINC000000968256
CONTENTS