General Information of the Compound
Compound ID
CP0423436
Compound Name
(+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazole
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Synonyms
[3H]2-methoxyidazoxan
102575-24-6
1H-Imidazole, 2-(2,3-dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro-
2-(2,3-Dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
2-(2-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
2-(2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
2-Methoxyidazoxan
2-[2-(2-methoxy-1,4-benzodioxanyl)]imidazoline
2-ethoxy-idazoxan
CHEBI:73287
CHEMBL10332
PubChem2676
RX 821001
RX 821002
RX-821002
RX821002
Spectrum_001808
[3H]2-methoxyidazoxan
[3H]RX821002
alpha-methoxyidazoxan
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Structure
Formula
C12H14N2O3
Molecular Weight
234.255
Canonical SMILES
COC1(COc2ccccc2O1)C1=NCCN1
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InChI
InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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InChIKey
HQGWKNGAKBPTBX-UHFFFAOYSA-N
CAS
102575-24-6
Physicochemical Property
logP
0.8022
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
52.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 108094
SID: 14749421
ChEMBL ID
CHEMBL10332
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.3631 nM
   TI
   LI
   LO
   TS
Protein ID: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1.622 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.7943 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( [3H]RX821002 )
Drug Name [3H]RX821002
Target(s)
Adrenergic receptor alpha-1A (ADRA1A)
Inhibitor
Adrenergic receptor alpha-1B (ADRA1B)
Inhibitor
Adrenergic receptor alpha-2A (ADRA2A)
Inhibitor
Adrenergic receptor alpha-1D (ADRA1D)
Inhibitor
Adrenergic receptor alpha-2C (ADRA2C)
Antagonist
Adrenergic receptor alpha-2B (ADRA2B)
Antagonist