RIMANTADINE

Search structure
Synonyms:
Status: Approved (1993)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J05AC02
UNII: 0T2EF4JQTU

Structure
InChI Key UBCHPRBFMUDMNC-UHFFFAOYSA-N
Smile 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(%)
Enzyme Hydrolase
- 11000 - - -
Ion channel Other ion channel Miscellaneous ion channel Type A influenza virus matrix-2 channel family
- 10800-10800 510-7000 - 1-96
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - - 0
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 4400 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- 7300 - - 74

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 13392-28-4
ChEBI 94440
ChEMBL CHEMBL959
DrugBank DB00478
DrugCentral 2383
EPA CompTox DTXSID2023561
FDA SRS 0T2EF4JQTU
Human Metabolome Database HMDB0014621
KEGG C07236
PharmGKB PA164748038
PubChem 5071
SureChEMBL SCHEMBL2981
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