| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 15 | Yes |
Popular Name: Metaproterenol Metaproterenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 586-06-1 , 586-06-1, 5874-97-5 [meta , 586-06-1, 5874-97-5 [metaproterenol sulfate] , 5874-97-5 , [586-06-1] , [5874-97-5]
5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol
586-06-1; C07144; Metaproterenol; Orciprenaline
586-06-1; D08300; Metaproterenol; Orciprenaline (INN)
5874-97-5; Alupent (TN); D00685; Metaproterenol sulfate (USP); Orciprenaline sulfate (JP16)
5874-97-5; Metaproterenol sulfate, orciprenaline sulfate; Prestwick_845
bis(5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol); sulfuric acid
CPD001453712; Metaproterenol; SAM002548965
Metaproterenol sulfate, orciprenaline sulfate
| 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) | 0.55 | -2.2 | -41.96 | 5 | 4 | 1 | 77 | 212.269 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | -3.38 | -6.09 | 4 | 4 | 0 | 73 | 211.261 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 224 - 226 | Enamine Building Blocks |
| MP | 224...226 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 6.92e+00 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Indications | antiasthmatic, bronchodilator | KeyOrganics Bioactives |
| Indications | antiasthmatic, bronchospasm | KeyOrganics Bioactives |
| Therapy | bronchodilator | SMDC Pharmakon |
| PUBCHEM_PATENT_ID | EP0012925A1; EP0036426A1; EP0043807A2; EP0046144A1; EP0069075A1; EP0069113A2; EP0069715A1; EP0077529A2; EP0081338A1; EP0098041A2; EP0105840A1; EP0107941A1; EP0131302A2; EP0131302B1; EP0134424A1; EP0158441A2; EP0158441B1; EP0159167A2; EP0159167B1; EP015916 | IBM Patent Data |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Enamine; NCC_SUPPLIER_STRUCTURE_ID : 241392097 | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Enamine; SUPPLIER_STRUCTURE_ID: 241392097 | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4810 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 4810 | 0.50 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
