| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 13 | No |
Popular Name: DL-Adrenaline DL-Adrenaline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 329-63-5 , 329-65-7 , 51-42-3 , 51-43-4 , 6912-68-1 , [329-63-5] , [51-43-4] , [55-31-2]
(+)-adrenaline; (S)-adrenaline
(+/-)-Epinephrine hydrochloride; 329-63-5; CPD000857209; SAM002699891
(+/-)-Epinephrine hydrochloride; CPD000857209; Racemic Epinephrine; SAM002699891
4-(1-Hydroxy-2-(methylamino)ethyl)benzene-1,2-diol
4-(1-Hydroxy-2-(methylamino)ethyl)benzene-1,2-diol hydrochloride
4-[1-HYDROXY-2-(METHYLAMINO)ETHYL]-1,2-BENZENEDIOL HYDROCHLORIDE
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
D05689; Racepinephrine hydrochloride (USP)
L-epinephrine; adrenaline; epinephrine
racepinefrina; racepinefrine; racepinefrinum
Racepinefrine (INN); Racepinephrine (USP); Racepinephrine HCl (USP)
Racepinefrine (INN); Racepinephrine (USP); Racepinephrine Hydrochloride (USP)
| 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) | -0.06 | -2.87 | -46.53 | 5 | 4 | 1 | 77 | 184.215 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | -4.37 | -7.91 | 4 | 4 | 0 | 73 | 183.207 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Therapy | adrenergic agonist, bronchodilator, antiglaucoma agent | SMDC MicroSource |
| Patent Database Links | EP1586347; US2007218114; US2008255073; US2008261948; WO2006024815; WO2006085096 | ChEBI |
| Patent Database Links | EP1736147; EP1762236; EP1775283; EP1815845; EP1815846; EP1829527; EP1829528; EP1839648; US2003026850; US2003236298; US2005038046; US2005043408; US2005070613; US2005084943; US2005101676; US2005107463; US2005182103; US2005239863; US2006020000; US2006167081 | ChEBI |
| UniProt Database Links | FTO_MOUSE; KPB1_RABIT; PA2_AUSSU; PNMT_BOVIN; PNMT_HUMAN; PNMT_MOUSE; PNMT_PIG; PNMT_RAT; S22A1_BOVIN; S22A1_HUMAN; S22A1_MOUSE; S22A1_PIG; S22A1_RABIT; S22A1_RAT; S22A2_RAT | ChEBI |
| Target | GPCR | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : MZ-3008; NCC_SUPPLIER_SAMPLE_COMMENTS : SLIGHT COFFEE POWDER | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: MZ-3008; SUPPLIER_COMMENTS: SLIGHT COFFEE POWDER | NIH Clinical Collection via PubChem |
| Target | Transforming growth factor beta-1(P01137)&Platelet-derived growth factor subunit B(P01127)&Carnitine O-acetyltransferase(P43155)&Vascular endothelial growth factor A(P15692)&Tumor necrosis factor(P01375)&Interleukin-6(P05231)&Insulin-like growth factor 1 | Herbal Ingredients Targets |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A-3-E | Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 45 | 0.79 | Binding ≤ 10μM |
| ADA2B-4-E | Alpha-2b Adrenergic Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 45 | 0.79 | Binding ≤ 10μM |
| ADA2C-3-E | Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 45 | 0.79 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3700 | 0.58 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 45 | 0.79 | Binding ≤ 1μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 45 | 0.79 | Binding ≤ 1μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 45 | 0.79 | Binding ≤ 1μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 45 | 0.79 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 45 | 0.79 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 45 | 0.79 | Binding ≤ 10μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 3700 | 0.58 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| G alpha (i) signalling events | |
| G alpha (z) signalling events |
