| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 26 | Yes |
Popular Name: 5-[(1S)-2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-hydroxy-ethyl]quinoline-2,8-diol 5-[(1S)-2-[(1,1-dimethyl-2-pheny…
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| 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) | 2.74 | 2.68 | -65.56 | 5 | 5 | 1 | 90 | 353.442 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 3.16 | -80.32 | 4 | 5 | 0 | 93 | 352.434 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 2.95 | -45.53 | 3 | 5 | -1 | 88 | 351.426 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1-1-E | Beta-1 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.46 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.46 | Binding ≤ 10μM |
| ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.46 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 7 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 3.1 | 0.46 | Binding ≤ 1μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 3.1 | 0.46 | Binding ≤ 1μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 3.1 | 0.46 | Binding ≤ 1μM |
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 3.1 | 0.46 | Binding ≤ 10μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 3.1 | 0.46 | Binding ≤ 10μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 3.1 | 0.46 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 6.9 | 0.44 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
