CORYNANTHINE
SMILES | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
InChIKey | BLGXFZZNTVWLAY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 1 |
Molecular weight (Da) | 354.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.15 | 5.35 | PDSP Ki database |
5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 5.5 | 5.66 | 5.8 | PDSP Ki database |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 6.58 | 7.8 | PDSP Ki database |
5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 5.0 | 6.14 | 7.7 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 6.05 | 6.6 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.94 | 5.94 | 5.94 | PDSP Ki database |
5-HT2A | 5HT2A | Pig | 5-Hydroxytryptamine | A | pKi | 5.36 | 5.36 | 5.36 | PDSP Ki database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.6 | 7.28 | 7.8 | PDSP Ki database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.54 | 7.9 | 8.39 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.77 | 5.98 | 6.19 | PDSP Ki database |
5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 7.23 | 7.38 | 7.45 | PDSP Ki database |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.55 | 9.35 | 10.4 | PDSP Ki database |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.88 | 8.7 | 9.49 | PDSP Ki database |
α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 7.0 | 8.57 | 9.35 | PDSP Ki database |
α2C | ADA2C | North American opossum | Adrenoceptors | A | pKi | 7.7 | 8.9 | 10.1 | PDSP Ki database |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.11 | 8.66 | 9.49 | PDSP Ki database |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.6 | 6.6 | 6.6 | PDSP Ki database |
α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 6.29 | 6.29 | 6.29 | PDSP Ki database |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.46 | 5.46 | 5.46 | PDSP Ki database |
α2A | ADA2A | Pig | Adrenoceptors | A | pKi | 9.43 | 9.43 | 9.43 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.82 | 5.82 | 5.82 | PDSP Ki database |
5-HT1D | 5HT1D | Dog | 5-Hydroxytryptamine | A | pKi | 8.28 | 8.28 | 8.28 | PDSP Ki database |
α2A | ADA2A | Mouse | Adrenoceptors | A | pKi | 7.44 | 7.44 | 7.44 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |