In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 24 | Yes |
Popular Name: 1-(Dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-ol hydrochloride 1-(Dimethylamino)-3-(2-(3-methox…
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CAS Numbers: 135261-74-4 , [135261-74-4]
1-(Dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-olhydrochloride
1-(Dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-2-propanol hydrochloride
1-(Dimethylamino)-3-[[2-(3-methoxyphenyl)ethyl]phenoxy]-2-propanol hydrochloride
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) | 3.35 | 0.38 | -39.53 | 2 | 4 | 1 | 43 | 330.448 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.85 | 12.14 | -48.41 | 1 | 5 | 1 | 46 | 438.514 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 95% | Fluorochem |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT2A-2-E | Serotonin 2a (5-HT2a) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1 | 0.53 | Binding ≤ 10μM |
5HT2B-3-E | Serotonin 2b (5-HT2b) Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 1 | 0.53 | Binding ≤ 10μM |
5HT2C-3-E | Serotonin 2c (5-HT2c) Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 1 | 0.53 | Binding ≤ 10μM |
5HT2A-2-E | Serotonin 2a (5-HT2a) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 13 | 0.46 | Functional ≤ 10μM |
5HT2B-1-E | Serotonin 2b (5-HT2b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 13 | 0.46 | Functional ≤ 10μM |
5HT2C-1-E | 5-hydroxytryptamine Receptor 2C (cluster #1 Of 2), Eukaryotic | Eukaryotes | 13 | 0.46 | Functional ≤ 10μM |
Z50592-1-O | Oryctolagus Cuniculus (cluster #1 Of 8), Other | Other | 480 | 0.37 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 1.16 | 0.52 | Binding ≤ 1μM |
5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 1.16 | 0.52 | Binding ≤ 1μM |
5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 1.16 | 0.52 | Binding ≤ 1μM |
5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 1.16 | 0.52 | Binding ≤ 10μM |
5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 1.16 | 0.52 | Binding ≤ 10μM |
5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 1.16 | 0.52 | Binding ≤ 10μM |
Z50592 | Z50592 | Oryctolagus Cuniculus | 480 | 0.37 | Functional ≤ 10μM |
5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 12.5 | 0.46 | Functional ≤ 10μM |
5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 12.5 | 0.46 | Functional ≤ 10μM |
5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 12.5 | 0.46 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (q) signalling events | |
Serotonin receptors |