RILMENIDINE

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Synonyms
Status
Molecule Category UNKNOWN
ATC C02AC06
UNII P67IM25ID8
EPA CompTox DTXSID3045194

Structure

InChI Key CQXADFVORZEARL-UHFFFAOYSA-N
Smiles C1COC(NC(C2CC2)C2CC2)=N1
InChI
InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16N2O
Molecular Weight 180.25
AlogP 1.15
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 33.62
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 13.0

Bioactivity

Mechanism of Action Action Reference
Nischarin agonist AGONIST PubMed PubMed Other
Protein: Nischarin
Description: Nischarin
Organism : Homo sapiens
Q9Y2I1 ENSG00000010322
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
178-275 - - 36-300 -
Other cytosolic protein
- - - 11-83 -
Assay Description Organism Bioactivity Reference
Displacement of [3H]RX-821002 from alpha-2 adrenergic receptor of calf frontal cortex membranes Bos taurus 56.23 nM
Agonistic activity towards human Alpha-2A adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine monophosphate None 275.42 nM
Binding affinity towards human Alpha-2A adrenergic receptor by the displacement of [3H]rauwolscine None 181.97 nM
Agonistic activity towards human Alpha-2B adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine monophosphate None 724.44 nM
Binding affinity towards human Alpha-2B adrenergic receptor by the displacement of [3H]rauwolscine None 70.79 nM
Agonistic activity towards human Alpha-2C adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine monophosphate None 190.55 nM
Binding affinity towards human Alpha-2C adrenergic receptor by the displacement of [3H]rauwolscine None 288.4 nM
Displacement of [3H]clonidine from imidazoline receptor I-1 of bovine chromaffin cell membranes Bos taurus 74.13 nM
Displacement of [125I]PIC from human alpha2 adrenoceptors expressed in CHO cells Homo sapiens 30.54 nM
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR Homo sapiens 59.16 nM Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR Homo sapiens 59.2 nM
Displacement of [3H]paraiodoclonidine from imidazoline I1 receptor in rat PC12 cells after 30 mins by gamma counter Rattus norvegicus 11.22 nM
Displacement of [3H]RX821001 from human alpha2A adrenoceptor expressed in CHO cells after 60 mins by gamma counter Homo sapiens 36.31 nM
Displacement of [3H]RX821001 from human alpha2B adrenoceptor expressed in CHO cells after 60 mins by gamma counter Homo sapiens 42.66 nM
Displacement of [3H]RX821001 from human alpha2C adrenoceptor expressed in CHO cells after 60 mins by gamma counter Homo sapiens 12.59 nM
Binding affinity to I1 imidazoline binding site in Rattus norvegicus (rat) PC12 cells Rattus norvegicus 11.22 nM
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting Rattus norvegicus 83.1 nM
Displacement of [3H]RX821002 from human alpha2 adrenoceptor expressed in CHO cell membranes after 60 mins Homo sapiens 180.0 nM
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method Homo sapiens 300.0 nM
Agonist activity at recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane incubated for 30 mins by [35S]GTPgammaS binding assay Homo sapiens 177.83 nM
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma counting method Rattus norvegicus 12.59 nM

Cross References

Resources Reference
ChEBI 8862
ChEMBL CHEMBL289480
DrugBank DB11738
DrugCentral 2381
FDA SRS P67IM25ID8
KEGG C11120
PubChem 68712
SureChEMBL SCHEMBL114420
ZINC ZINC000000009708
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