| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 15 | Yes |
Popular Name: IDAZOXAN HYDROCHLORIDE IDAZOXAN HYDROCHLORIDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 79944-56-2 , 79944-58-4
(+-)-2-(1,4-Benzodioxan-2-yl)-2-imidazoline
1H-Imidazole, 4,5-dihydro-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-
1H-Imidazole,2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-, hydrochloride (1:1)
2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
4,5-dihydro-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1H-imidazole
4,5-dihydro-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1H-imidazole; Idazoxan
idazoxan; idazoxane; idazoxano; idazoxanum
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.03 | 2.82 | -31.65 | 2 | 4 | 1 | 44 | 205.237 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Therapy | alpha2-adrenergic blocker | SMDC Pharmakon |
| Patent Database Links | EP1088824; EP1136071; EP1391460; EP1541197; EP1852422; US2002061879; US2002143007; US2005009870; US2005014786; US2005065161; US2005080087; US2005187222; US2006258715; US2006258721; US2007190023; US2007197592; US2007225279; US2008214613; US2008262067; WO20 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A-3-E | Alpha-1a Adrenergic Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 500 | 0.59 | Binding ≤ 10μM |
| ADA2A-1-E | Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2 | 0.81 | Binding ≤ 10μM |
| ADA2B-3-E | Alpha-2b Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 21 | 0.72 | Binding ≤ 10μM |
| ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 21 | 0.72 | Binding ≤ 10μM |
| AOFA-3-E | Monoamine Oxidase A (cluster #3 Of 8), Eukaryotic | Eukaryotes | 28 | 0.70 | Binding ≤ 10μM |
| AOFB-3-E | Monoamine Oxidase B (cluster #3 Of 8), Eukaryotic | Eukaryotes | 28 | 0.70 | Binding ≤ 10μM |
| NISCH-2-E | Nischarin (cluster #2 Of 4), Eukaryotic | Eukaryotes | 300 | 0.61 | Binding ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 403 | 0.60 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 261 | 0.61 | Binding ≤ 1μM |
| ADA1A_BOVIN | P18130 | Alpha-1a Adrenergic Receptor, Bovin | 500 | 0.59 | Binding ≤ 1μM |
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 7.07945784 | 0.76 | Binding ≤ 1μM |
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 1.5 | 0.82 | Binding ≤ 1μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 1.72 | 0.82 | Binding ≤ 1μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 1.72 | 0.82 | Binding ≤ 1μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 100 | 0.65 | Binding ≤ 1μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 1.72 | 0.82 | Binding ≤ 1μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 17.7827941 | 0.72 | Binding ≤ 1μM |
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 10 | 0.75 | Binding ≤ 1μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 10 | 0.75 | Binding ≤ 1μM |
| NISCH_HUMAN | Q9Y2I1 | Nischarin, Human | 300 | 0.61 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 1650 | 0.54 | Binding ≤ 10μM |
| ADA1A_BOVIN | P18130 | Alpha-1a Adrenergic Receptor, Bovin | 500 | 0.59 | Binding ≤ 10μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 1.72 | 0.82 | Binding ≤ 10μM |
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 7.07945784 | 0.76 | Binding ≤ 10μM |
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 1.5 | 0.82 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 1.72 | 0.82 | Binding ≤ 10μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 100 | 0.65 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 1.72 | 0.82 | Binding ≤ 10μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 17.7827941 | 0.72 | Binding ≤ 10μM |
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 10 | 0.75 | Binding ≤ 10μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 10 | 0.75 | Binding ≤ 10μM |
| NISCH_HUMAN | Q9Y2I1 | Nischarin, Human | 1255 | 0.55 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| Enzymatic degradation of dopamine by COMT | |
| Enzymatic degradation of Dopamine by monoamine oxidase | |
| G alpha (i) signalling events | |
| G alpha (z) signalling events | |
| Metabolism of serotonin | |
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 | |
| Norepinephrine Neurotransmitter Release Cycle |
