In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2005 | 20 | No |
Popular Name: Apomorphine Hydrochloride Apomorphine Hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 314-19-2 , 314-19-2; 41372-20-7 , 41372-20-7 , 41372-20-7, 314-19-2 [anh , 41372-20-7, 314-19-2 [anhydrous], 58-00-4 [apomorphine] , 58-00-4 , [41372-20-7]
(R)-(-)-APOMORPHINE HYDROCHLORIDE
41372-20-7; Apomorphine hydrochloride (R,-); Prestwick_28
4H-dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride
58-00-4; Apomorphine (BAN); D07460; Uprima (TN)
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol hydrochloride
Apomorphine (BAN); Apomorphine HCl (FDA
Apomorphine (BAN); Apomorphine HCl (USP
Apomorphine (BAN); Apomorphine Hydrochloride (FDA
Apomorphine dimer hydrochloride; Aporphine-10,11-diol, dimer, hydrochloride; LS-21476
Apomorphine Hydrochloride Hemihydrate
Apomorphinium Chloride Hemihydrate
R(-) Apomorphine hydrochloride hemihydrate
R(-)-Apomorphine hydrochloride
R-(-)-Apomorphine hydrochloride hemihydrate
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) | 2.89 | 5.76 | -43.96 | 3 | 3 | 1 | 45 | 268.336 | 0 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 3.41 | -8.79 | 2 | 3 | 0 | 44 | 267.328 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 5.10e-01 g/l | DrugBank-approved |
Therapy | Dopamine receptor agonist | SMDC Iconix |
Therapy | emetic | SMDC MicroSource |
Patent Database Links | EP1224933; EP1254661; EP1256343; EP1457490; EP1582221; EP1609470; EP1666040; EP1785145; EP1792617; EP1815854; EP1815862; EP1862167; EP1987815; GB2001531; US2003026850; US2004106611; US2004147575; US2006039962; US2006178394; US2007183979; US2007183980; US2 | ChEBI |
UniProt Database Links | SH3G3_RAT | ChEBI |
Patent Database Links | US2006178394 | ChEBI |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT1A-1-E | Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 4500 | 0.37 | Binding ≤ 10μM |
5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4500 | 0.37 | Binding ≤ 10μM |
5HT1D-1-E | Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4500 | 0.37 | Binding ≤ 10μM |
5HT1F-1-E | Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4500 | 0.37 | Binding ≤ 10μM |
5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4500 | 0.37 | Binding ≤ 10μM |
5HT2B-1-E | Serotonin 2b (5-HT2b) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 4500 | 0.37 | Binding ≤ 10μM |
5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4500 | 0.37 | Binding ≤ 10μM |
5HT4R-1-E | Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4500 | 0.37 | Binding ≤ 10μM |
5HT5A-1-E | Serotonin 5a (5-HT5a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4500 | 0.37 | Binding ≤ 10μM |
5HT5B-1-E | Serotonin 5b (5-HT5b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4500 | 0.37 | Binding ≤ 10μM |
5HT6R-1-E | Serotonin 6 (5-HT6) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4500 | 0.37 | Binding ≤ 10μM |
5HT7R-1-E | Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4500 | 0.37 | Binding ≤ 10μM |
ADA2A-1-E | Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 63 | 0.50 | Binding ≤ 10μM |
ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 63 | 0.50 | Binding ≤ 10μM |
ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 63 | 0.50 | Binding ≤ 10μM |
DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 8700 | 0.35 | Binding ≤ 10μM |
DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8 | 0.57 | Binding ≤ 10μM |
DRD4-3-E | Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 860 | 0.42 | Binding ≤ 10μM |
DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 860 | 0.42 | Binding ≤ 10μM |
KCNH2-1-E | HERG (cluster #1 Of 5), Eukaryotic | Eukaryotes | 2399 | 0.39 | Binding ≤ 10μM |
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 302 | 0.46 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 302 | 0.46 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 302 | 0.46 | Binding ≤ 10μM |
SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 302 | 0.46 | Binding ≤ 10μM |
DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.59 | Functional ≤ 10μM |
DRD2-1-E | Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 24 | 0.53 | Functional ≤ 10μM |
DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.57 | Functional ≤ 10μM |
DRD4-1-E | Dopamine D4 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.58 | Functional ≤ 10μM |
DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 110 | 0.49 | Functional ≤ 10μM |
DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 98 | 0.49 | Binding ≤ 10μM |
Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 7750 | 0.36 | Binding ≤ 10μM |
Z50597-1-O | Rattus Norvegicus (cluster #1 Of 5), Other | Other | 23 | 0.53 | Binding ≤ 10μM |
Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 1995 | 0.40 | Functional ≤ 10μM |
Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 44 | 0.51 | Functional ≤ 10μM |
Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 70 | 0.50 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 430 | 0.45 | Binding ≤ 1μM |
ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 430 | 0.45 | Binding ≤ 1μM |
ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 430 | 0.45 | Binding ≤ 1μM |
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 302 | 0.46 | Binding ≤ 1μM |
DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 240 | 0.46 | Binding ≤ 1μM |
DRD1_BOVIN | Q95136 | Dopamine D1 Receptor, Bovin | 1 | 0.63 | Binding ≤ 1μM |
DRD1_MOUSE | Q61616 | Dopamine D1 Receptor, Mouse | 101 | 0.49 | Binding ≤ 1μM |
DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 25 | 0.53 | Binding ≤ 1μM |
DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 0.62 | 0.64 | Binding ≤ 1μM |
DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 11.1 | 0.56 | Binding ≤ 1μM |
DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 1 | 0.63 | Binding ≤ 1μM |
DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 36.4 | 0.52 | Binding ≤ 1μM |
DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 2.6 | 0.60 | Binding ≤ 1μM |
DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 1 | 0.63 | Binding ≤ 1μM |
DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 25 | 0.53 | Binding ≤ 1μM |
DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 1 | 0.63 | Binding ≤ 1μM |
DRD5_HUMAN | P21918 | Dopamine D5 Receptor, Human | 25 | 0.53 | Binding ≤ 1μM |
OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 302 | 0.46 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 302 | 0.46 | Binding ≤ 1μM |
Z50597 | Z50597 | Rattus Norvegicus | 1.4 | 0.62 | Binding ≤ 1μM |
5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 296 | 0.46 | Binding ≤ 1μM |
5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 296 | 0.46 | Binding ≤ 1μM |
5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 188 | 0.47 | Binding ≤ 1μM |
SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 302 | 0.46 | Binding ≤ 1μM |
Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 7750 | 0.36 | Binding ≤ 10μM |
ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 430 | 0.45 | Binding ≤ 10μM |
ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 430 | 0.45 | Binding ≤ 10μM |
ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 430 | 0.45 | Binding ≤ 10μM |
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 302 | 0.46 | Binding ≤ 10μM |
DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 240 | 0.46 | Binding ≤ 10μM |
DRD1_BOVIN | Q95136 | Dopamine D1 Receptor, Bovin | 1 | 0.63 | Binding ≤ 10μM |
DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 25 | 0.53 | Binding ≤ 10μM |
DRD1_MOUSE | Q61616 | Dopamine D1 Receptor, Mouse | 101 | 0.49 | Binding ≤ 10μM |
DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 1 | 0.63 | Binding ≤ 10μM |
DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 11.1 | 0.56 | Binding ≤ 10μM |
DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 0.62 | 0.64 | Binding ≤ 10μM |
DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 2.6 | 0.60 | Binding ≤ 10μM |
DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 36.4 | 0.52 | Binding ≤ 10μM |
DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 1 | 0.63 | Binding ≤ 10μM |
DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 25 | 0.53 | Binding ≤ 10μM |
DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 1 | 0.63 | Binding ≤ 10μM |
DRD5_HUMAN | P21918 | Dopamine D5 Receptor, Human | 25 | 0.53 | Binding ≤ 10μM |
KCNH2_HUMAN | Q12809 | HERG, Human | 2398.83292 | 0.39 | Binding ≤ 10μM |
OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 302 | 0.46 | Binding ≤ 10μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 302 | 0.46 | Binding ≤ 10μM |
Z50597 | Z50597 | Rattus Norvegicus | 1.4 | 0.62 | Binding ≤ 10μM |
5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 296 | 0.46 | Binding ≤ 10μM |
5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 296 | 0.46 | Binding ≤ 10μM |
5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 4500 | 0.37 | Binding ≤ 10μM |
5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 4500 | 0.37 | Binding ≤ 10μM |
5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 4500 | 0.37 | Binding ≤ 10μM |
5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 4500 | 0.37 | Binding ≤ 10μM |
5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 4500 | 0.37 | Binding ≤ 10μM |
5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 4500 | 0.37 | Binding ≤ 10μM |
5HT4R_RAT | Q62758 | Serotonin 4 (5-HT4) Receptor, Rat | 4500 | 0.37 | Binding ≤ 10μM |
5HT5A_RAT | P35364 | Serotonin 5a (5-HT5a) Receptor, Rat | 4500 | 0.37 | Binding ≤ 10μM |
5HT5B_RAT | P35365 | Serotonin 5b (5-HT5b) Receptor, Rat | 4500 | 0.37 | Binding ≤ 10μM |
5HT6R_RAT | P31388 | Serotonin 6 (5-HT6) Receptor, Rat | 4500 | 0.37 | Binding ≤ 10μM |
5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 188 | 0.47 | Binding ≤ 10μM |
SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 302 | 0.46 | Binding ≤ 10μM |
DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 3.7 | 0.59 | Functional ≤ 10μM |
DRD1_BOVIN | Q95136 | Dopamine D1 Receptor, Bovin | 3.7 | 0.59 | Functional ≤ 10μM |
DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 52 | 0.51 | Functional ≤ 10μM |
DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 1.8 | 0.61 | Functional ≤ 10μM |
DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 3.7 | 0.59 | Functional ≤ 10μM |
DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 3.7 | 0.59 | Functional ≤ 10μM |
DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 7 | 0.57 | Functional ≤ 10μM |
DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 3.7 | 0.59 | Functional ≤ 10μM |
DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 3.7 | 0.59 | Functional ≤ 10μM |
DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 1.5 | 0.62 | Functional ≤ 10μM |
DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 3.7 | 0.59 | Functional ≤ 10μM |
Z50592 | Z50592 | Oryctolagus Cuniculus | 44 | 0.51 | Functional ≤ 10μM |
Z50425 | Z50425 | Plasmodium Falciparum | 1995.26231 | 0.40 | Functional ≤ 10μM |
Z50597 | Z50597 | Rattus Norvegicus | 1100 | 0.42 | Functional ≤ 10μM |
Description | Species |
---|---|
Adrenaline signalling through Alpha-2 adrenergic receptor | |
Adrenaline,noradrenaline inhibits insulin secretion | |
Adrenoceptors | |
Dopamine receptors | |
G alpha (i) signalling events | |
G alpha (q) signalling events | |
G alpha (s) signalling events | |
G alpha (z) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors | |
Serotonin receptors | |
Voltage gated Potassium channels |