APOMORPHINE
SMILES | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O |
InChIKey | VMWNQDUVQKEIOC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 0 |
Molecular weight (Da) | 267.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.34 | 6.63 | 6.92 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.36 | 5.61 | 5.78 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.17 | 6.54 | 7.14 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.41 | 7.34 | 9.21 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.14 | 7.65 | 8.66 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.31 | 6.12 | 6.93 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.96 | 5.96 | 5.96 | PDSP Ki database |
D3 | DRD3 | Rat | Dopamine | A | pKi | 7.36 | 7.53 | 7.7 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.27 | 7.22 | 7.82 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 6.0 | 6.53 | 7.06 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.96 | 7.92 | 9.34 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.35 | 7.79 | 8.36 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.44 | 7.13 | 7.83 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 7.29 | 7.36 | 7.4 | PDSP Ki database |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.7 | 6.45 | 7.19 | PDSP Ki database |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.17 | 6.17 | 6.17 | PDSP Ki database |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.85 | 6.85 | 6.85 | PDSP Ki database |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.18 | 7.18 | 7.18 | PDSP Ki database |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.44 | 7.44 | 7.44 | PDSP Ki database |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.53 | 5.53 | 5.53 | PDSP Ki database |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.91 | 5.91 | 5.91 | PDSP Ki database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.88 | 6.88 | 6.88 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.99 | 6.99 | 6.99 | PDSP Ki database |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Dog | Dopamine | A | pKi | 8.7 | 8.7 | 8.7 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |