| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 26 | Yes |
546-06-5; C06545; Conessine; Wrightine
546-06-5; Conessine; Prestwick_692
Conessine [546-06-5]; (Neriine, Roquessine, Wrightine)
Conessine (INN); Conessine Hydrobromide (MI)
| 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) | 4.79 | 13.04 | -76.57 | 2 | 2 | 2 | 9 | 358.614 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 3.67 | Bitter DB |
| SOLUBILITY | . | Indofine Natural Products |
| M.P | 126-127 C | Indofine Natural Products |
| M.P | 126-127°C | Indofine Natural Products |
| PUBCHEM_PATENT_ID | EP0007116A1; EP0229944A2; EP0249245A2; EP0273349A2; EP0637243A1; EP0637243B1; EP0647133A1; US3242168; US4246164; US4667038; US4761420; US4920225; US5192756; US5607691; WO1993023547A1; WO1993025197A1 | IBM Patent Data |
| APPEARANCE | Merck Index 12, 2561 | Indofine Natural Products |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A-1-E | Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 661 | 0.33 | Binding ≤ 10μM |
| ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 11 | 0.43 | Binding ≤ 10μM |
| HRH1-2-E | Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.27 | Binding ≤ 10μM |
| HRH2-3-E | Histamine H2 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.27 | Binding ≤ 10μM |
| HRH3-3-E | Histamine H3 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 5 | 0.45 | Binding ≤ 10μM |
| HRH4-1-E | Histamine H4 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.27 | Binding ≤ 10μM |
| Z50426-7-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #7 Of 9), Other | Other | 1040 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 660.693448 | 0.33 | Binding ≤ 1μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 10.4712855 | 0.43 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 3.4673685 | 0.46 | Binding ≤ 1μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 12.3026877 | 0.43 | Binding ≤ 1μM |
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 660.693448 | 0.33 | Binding ≤ 10μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 10.4712855 | 0.43 | Binding ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 10000 | 0.27 | Binding ≤ 10μM |
| HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 10000 | 0.27 | Binding ≤ 10μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 3.4673685 | 0.46 | Binding ≤ 10μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 12.3026877 | 0.43 | Binding ≤ 10μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 10000 | 0.27 | Binding ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 1040 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| G alpha (z) signalling events | |
| Histamine receptors |
