RIMANTADINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC J05AC02
UNII 0T2EF4JQTU
EPA CompTox DTXSID2023561

Structure

InChI Key UBCHPRBFMUDMNC-UHFFFAOYSA-N
Smiles CC(N)C12CC3CC(CC(C3)C1)C2
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21N
Molecular Weight 179.31
AlogP 2.55
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 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(%)
Ion channel Other ion channel Miscellaneous ion channel Type A influenza virus matrix-2 channel family
- - 16-510 - 1-96
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - - -0.4-41
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 74
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- - - - 100
Homo sapiens
- - - - -0.4-74
Influenza A virus
10-500 - - - -
Influenza A virus (A/Hong Kong/68(H3N2))
50 - - - -
Influenza A virus (A/Hong Kong/7/1987(H3N2))
16-850 - - - -
Influenza A virus (A/Puerto Rico/8/1934(H1N1))
- 300 - - -
Influenza A virus (A/WSN/1933(H1N1))
40 - - - -
Influenza A virus (A/chicken/FPV/Weybridge(H7N7))
- - 16 - -
Influenza A virus (A/udorn/1972(H3N2))
90 - 510 - 1-96
Influenza A virus H3N2
80-700 - - - -
Plasmodium yoelii yoelii
- 35.6-35.6 - - -
influenza A virus
50-530 - - - -

Related Entries

Cross References

Resources Reference
ChEBI 94440
ChEMBL CHEMBL959
DrugBank DB00478
DrugCentral 2383
FDA SRS 0T2EF4JQTU
Human Metabolome Database HMDB0014621
KEGG C07236
PharmGKB PA164748038
PubChem 5071
SureChEMBL SCHEMBL2981
CONTENTS