In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2005 | 17 | Yes |
Popular Name: PIPEROXAN PIPEROXAN
1-[ methyl]piperidiniumchloride
1-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]piperidinium chloride
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) | 2.40 | 7.68 | -36.47 | 1 | 3 | 1 | 23 | 234.319 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 5.51 | -5.51 | 0 | 3 | 0 | 22 | 233.311 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADA2A-1-E | Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 95 | 0.58 | Binding ≤ 10μM |
ADA2B-3-E | Alpha-2b Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 95 | 0.58 | Binding ≤ 10μM |
ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 95 | 0.58 | Binding ≤ 10μM |
Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 720 | 0.51 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 720 | 0.51 | Binding ≤ 1μM |
ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 140 | 0.56 | Binding ≤ 1μM |
ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 140 | 0.56 | Binding ≤ 1μM |
ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 140 | 0.56 | Binding ≤ 1μM |
Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 720 | 0.51 | Binding ≤ 10μM |
ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 140 | 0.56 | Binding ≤ 10μM |
ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 140 | 0.56 | Binding ≤ 10μM |
ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 140 | 0.56 | Binding ≤ 10μM |
Description | Species |
---|---|
Adrenaline signalling through Alpha-2 adrenergic receptor | |
Adrenaline,noradrenaline inhibits insulin secretion | |
Adrenoceptors | |
G alpha (i) signalling events | |
G alpha (z) signalling events |