In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2005 | 18 | Yes |
Popular Name: Alprenolol Alprenolol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13655-52-2 , 13655-52-2, 13707-88-5 , 13655-52-2, 13707-88-5 [alprenolol hydrochloride] , 13707-88-5 , N/A
1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol hydrochloride
1-(2-Allylphenoxy)-3-isopropylamino-2-propanol
1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol
1-(o-Allylphenoxy)-3-isopropylamino)-2-propanol
1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
1-[2-(propen-2-ylphenoxy)]-3-(isopropylamino)propan-2-ol
13655-52-2; Alprenolol (INN); D07156
13707-88-5; Alprenolol hydrochloride (JP16/USAN); D01182; Regletin (TN)
13707-88-5; Alprenolol hydrochloride; Prestwick_678
2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-
2-Propanol, 1-(o-allylphenoxy)-3-(isopropylamino)-
2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyl)phenoxy]-
Alfeprol [Russian];Alpheprol;Alprenololum [INN-Latin]
Alprenololum [INN-Latin];Alfeprol [Russian];Alpheprol
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) | 2.58 | 5.16 | -40.25 | 3 | 3 | 1 | 46 | 250.362 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 3.88 | -5.22 | 2 | 3 | 0 | 41 | 249.354 | 8 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 1.88e-01 g/l | DrugBank-approved |
UniProt Database Links | ADA2A_HUMAN; ADA2B_HUMAN; OAR1_LYMST; OAR2_LYMST | ChEBI |
Therapy | beta Adrenoceptor antagonist | SMDC Iconix |
therap | betaadrenergic blocker | MicroSource Spectrum |
Patent Database Links | EP1541175; EP1553091; EP1785144 | ChEBI |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADRB1-2-E | Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2 | 0.68 | Binding ≤ 10μM |
ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.66 | Binding ≤ 10μM |
ADRB3-2-E | Beta-3 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2 | 0.68 | Binding ≤ 10μM |
FDFT-4-E | Squalene Synthetase (cluster #4 Of 4), Eukaryotic | Eukaryotes | 4200 | 0.42 | Binding ≤ 10μM |
Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 1995 | 0.44 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 1.51 | 0.69 | Binding ≤ 1μM |
ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 2.3 | 0.67 | Binding ≤ 1μM |
ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 2.3 | 0.67 | Binding ≤ 1μM |
ADRB2_BOVIN | Q28044 | Beta-2 Adrenergic Receptor, Bovin | 2.98 | 0.66 | Binding ≤ 1μM |
ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 1.51 | 0.69 | Binding ≤ 1μM |
ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 2.3 | 0.67 | Binding ≤ 1μM |
ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 1.51 | 0.69 | Binding ≤ 1μM |
ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 1.51 | 0.69 | Binding ≤ 10μM |
ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 2.3 | 0.67 | Binding ≤ 10μM |
ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 2.3 | 0.67 | Binding ≤ 10μM |
ADRB2_BOVIN | Q28044 | Beta-2 Adrenergic Receptor, Bovin | 2.98 | 0.66 | Binding ≤ 10μM |
ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 1.51 | 0.69 | Binding ≤ 10μM |
ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 1.51 | 0.69 | Binding ≤ 10μM |
ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 2.3 | 0.67 | Binding ≤ 10μM |
FDFT_RAT | Q02769 | Squalene Synthetase, Rat | 4200 | 0.42 | Binding ≤ 10μM |
Z50425 | Z50425 | Plasmodium Falciparum | 1995.26231 | 0.44 | Functional ≤ 10μM |
Description | Species |
---|---|
Activation of gene expression by SREBF (SREBP) | |
Adrenoceptors | |
Cholesterol biosynthesis | |
G alpha (s) signalling events | |
PPARA activates gene expression |