thebaine
SMILES | CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC |
InChIKey | FQXXSQDCDRQNQE-VMDGZTHMSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 311.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Human | Opioid | A | pKi | 5.13 | 5.13 | 5.13 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Human | Opioid | A | pEC50 | 5.25 | 5.25 | 5.25 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pEC50 | 5.25 | 5.25 | 5.25 | ChEMBL |