| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 22 | Yes |
Popular Name: Fenoterol hydrobromide Fenoterol hydrobromide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13392-18-2 , 1944-12-3 , 1944-12-3, 13392-18-2 [fe , [13392-18-2] , [1944-12-3]
1,3-Benzenediol, 5-(1-hydroxy-2-((2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)-
1,3-benzenediol, 5-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-, hydrobromide
1-(3,5-Dihydroxyphenyl)-1-hydroxy-2-((4-hydroxyphenyl)isopropylamino)ethane
1-(p-Hydroxyphenyl)-2-((beta-hydroxy-beta-(3',5'-dihydroxyphenyl))ethyl)aminopropane
13392-18-2; D04157; Fenoterol (USAN/INN)
1944-12-3; Berotec (TN); D01428; Fenoterol hydrobromide (JAN)
1944-12-3; Fenoterol hydrobromide; Prestwick_667
3,5-Dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)methyl)benzyl alcohol
5-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,3-diol
5-(1-hydroxy-2-{[2-(4-hydroxyphenyl)-1-methylethyl]amino}ethyl)-1,3-benzenediol hydrobromide
5-(1-hydroxy-2-{[2-(4-hydroxyphenyl)-1-methylethyl]amino}ethyl)benzene-1,3-diol
5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
5-{1-Hydroxy-2-[2-(4-hydroxy-phenyl)-1-methyl-ethylamino]-ethyl}-benzene-1,3-diol
Benzyl alcohol, 3,5-dihydroxy-.alpha.-(((p-hydroxy-.alpha.-methylphenethyl)amino)methyl)-
Benzyl alcohol, 3,5-dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)methyl)-
fenoterol HBr; fenoterol bromide; phenoterol hydrobromide
Fenoterolum [inn-latin];Phenoterol
INN); Fenoterol Hydrobromide (JAN)
| 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) | 1.54 | -1.25 | -47.65 | 6 | 5 | 1 | 98 | 304.366 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.62e-01 g/l | DrugBank-approved |
| Indications | antiasthmatic | KeyOrganics Bioactives |
| Therapy | betaadrenergic agonist | SMDC MicroSource |
| PUBCHEM_PATENT_ID | EP0357725A1; EP0357725B1; EP0663897A1; EP0663897B1; EP0853501A1; EP0946146A2; EP1017469A1; US4484577; US5427089; US5964416; WO1994000766A1; WO1994007814A1; WO1998027959A2; WO1999016530A1; WO2000012078A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 60 | 0.46 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 350 | 0.41 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 73 | 0.45 | Functional ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8200 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 60 | 0.46 | Binding ≤ 1μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 60 | 0.46 | Binding ≤ 10μM |
| ADRB2_CAVPO | Q8K4Z4 | Beta-2 Adrenergic Receptor, Guinea Pig | 18 | 0.49 | Functional ≤ 10μM |
| ADRB2_RAT | P10608 | Beta-2 Adrenergic Receptor, Rat | 73 | 0.45 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
