| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 22 | Yes |
Popular Name: Ractopamine hydrochloride Ractopamine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 90274-24-1 , 97825-25-7 , [90274-24-1] , [97825-25-7]
4-(1-Hydroxy-2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)phenol hydrochloride
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
90274-24-1; D05691; Ractopamine hydrochloride (USAN)
Ractopamine (INN); Ractopamine HCl (USAN)
| 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) | 2.60 | 2.39 | -50.47 | 5 | 4 | 1 | 77 | 302.394 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 1.37 | -7.47 | 4 | 4 | 0 | 73 | 301.386 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Therapy | beta-adrenergic agonist, growth stimulant | SMDC Pharmakon |
| Target | Others | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 330 | 0.41 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.52 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 180 | 0.43 | Binding ≤ 1μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 180 | 0.43 | Binding ≤ 10μM |
| ADRB2_CAVPO | Q8K4Z4 | Beta-2 Adrenergic Receptor, Guinea Pig | 6.2 | 0.52 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
