| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2009 | 16 | No |
Popular Name: 3-fluoro-5-[(1R)-1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol 3-fluoro-5-[(1R)-1-hydroxy-2-(is…
| 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) | 0.94 | -1.26 | -41.63 | 5 | 4 | 1 | 77 | 230.259 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | -0.38 | -63.08 | 4 | 4 | 0 | 80 | 229.251 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | -0.46 | -62.15 | 4 | 4 | 0 | 80 | 229.251 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1-1-E | Beta-1 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 600 | 0.54 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 600 | 0.54 | Binding ≤ 10μM |
| ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 600 | 0.54 | Binding ≤ 10μM |
| ADRB1-1-E | Beta-1 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 20 | 0.67 | Functional ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 20 | 0.67 | Functional ≤ 10μM |
| ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 20 | 0.67 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 600 | 0.54 | Binding ≤ 1μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 600 | 0.54 | Binding ≤ 1μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 600 | 0.54 | Binding ≤ 1μM |
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 600 | 0.54 | Binding ≤ 10μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 600 | 0.54 | Binding ≤ 10μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 600 | 0.54 | Binding ≤ 10μM |
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 20 | 0.67 | Functional ≤ 10μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 20 | 0.67 | Functional ≤ 10μM |
| ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 20 | 0.67 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
