| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 15 | Yes |
Popular Name: METHOXAMINE HYDROCHLORIDE METHOXAMINE HYDROCHLORIDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 390-28-3 , 61-16-5 , 61-16-5, 390-28-3 , 61-16-5, 390-28-3 [methoxamine] , [61-16-5]
2-amino-1-(2,5-dimethoxyphenyl)-1-propanol
2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol
2-Amino-1-(2,5-dimethoxyphenyl)propanol
2-amino-1-[2,5-bis(methyloxy)phenyl]propan-1-ol
390-28-3; D08201; Methoxamine (BAN)
61-16-5; D01020; Methoxamine hydrochloride (JAN); Vasoxyl (TN)
61-16-5; Methoxamine hydrochloride; Prestwick_866
alpha-(1-Aminoethyl)-2,5-dimethoxybenzyl alcohol
Benzenemethanol, .alpha.-(1-aminoethyl)-2,5-dimethoxy-
Benzenemethanol, alpha-(1-aminoethyl)-2,5-dimethoxy-
Benzyl alcohol, .alpha.-(1-aminoethyl)-2,5-dimethoxy-
Benzyl alcohol, alpha-(1-aminoethyl)-2,5-dimethoxy-
DL-2-Amino-1-(2,5-dimethoxyphenyl)propanol
| 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) | 0.37 | -0.07 | -36.72 | 4 | 4 | 1 | 66 | 212.269 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | -0.35 | -5.42 | 3 | 4 | 0 | 65 | 211.261 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 9.21e+00 g/l | DrugBank-approved |
| Therapy | alpha1 Adrenoceptor agonist | SMDC Iconix |
| therap | alpha1 adrenoreceptor agonist, vasoconstrictor | MicroSource Spectrum |
| PUBCHEM_PATENT_ID | EP0713848A1; EP0713848B1; EP0735142A2; EP0736509A2; EP0736509A3; US5717116; US5801280; US6025531 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A-3-E | Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 3600 | 0.51 | Binding ≤ 10μM |
| ADA2B-3-E | Alpha-2b Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 3600 | 0.51 | Binding ≤ 10μM |
| ADA2C-3-E | Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 3600 | 0.51 | Binding ≤ 10μM |
| ADA1A-1-E | Alpha-1a Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 720 | 0.57 | Functional ≤ 10μM |
| ADA1D-1-E | Alpha-1d Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 720 | 0.57 | Functional ≤ 10μM |
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 10000 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 3600 | 0.51 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 3600 | 0.51 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 3600 | 0.51 | Binding ≤ 10μM |
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 720 | 0.57 | Functional ≤ 10μM |
| ADA1A_RABIT | O02824 | Alpha-1a Adrenergic Receptor, Rabit | 720 | 0.57 | Functional ≤ 10μM |
| ADA1D_RABIT | O02666 | Alpha-1d Adrenergic Receptor, Rabit | 720 | 0.57 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.47 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| G alpha (12/13) signalling events | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (z) signalling events |
