mitragynine
SMILES | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC |
InChIKey | LELBFTMXCIIKKX-QVRQZEMUSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 398.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.32 | 5.32 | 5.32 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.26 | 5.26 | 5.26 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.03 | 5.03 | 5.03 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.87 | 5.87 | 5.87 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.23 | 5.23 | 5.23 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.11 | 6.41 | 6.7 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.63 | 6.74 | 6.79 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.33 | 5.33 | 5.33 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.63 | 5.63 | 5.63 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
κ | OPRK | Mouse | Opioid | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 5.96 | 6.44 | 6.91 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Human | Opioid | A | pEC50 | 9.3 | 9.3 | 9.3 | Guide to Pharmacology |
μ | OPRM | Mouse | Opioid | A | pEC50 | 6.69 | 6.69 | 6.69 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pEC50 | 5.07 | 5.07 | 5.07 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.47 | 7.08 | 9.31 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pEC50 | 6.64 | 6.64 | 6.64 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pEC50 | 6.69 | 6.69 | 6.69 | ChEMBL |