| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 14 | Yes |
Popular Name: 2-[(3R)-7-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]ethanol 2-[(3R)-7-bromo-1,2,3,4-tetrahyd…
| 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) | 1.90 | 1.99 | -5.8 | 2 | 2 | 0 | 32 | 256.143 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.90 | 3.32 | -46.25 | 3 | 2 | 1 | 37 | 257.151 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A-3-E | Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 1300 | 0.59 | Binding ≤ 10μM |
| ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1300 | 0.59 | Binding ≤ 10μM |
| ADA2C-3-E | Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 1300 | 0.59 | Binding ≤ 10μM |
| PNMT-1-E | Phenylethanolamine N-methyltransferase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 350 | 0.65 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNMT_HUMAN | P11086 | Phenylethanolamine N-methyltransferase, Human | 350 | 0.65 | Binding ≤ 1μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 1300 | 0.59 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 1300 | 0.59 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 1300 | 0.59 | Binding ≤ 10μM |
| PNMT_HUMAN | P11086 | Phenylethanolamine N-methyltransferase, Human | 350 | 0.65 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| Catecholamine biosynthesis | |
| G alpha (i) signalling events | |
| G alpha (z) signalling events |
