CHEMBL4781006
SMILES | CC[C@H](N[C@@H]1CC[C@@]2(OC)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5)C(=O)O |
InChIKey | FGPMICJYDSZBIT-AXENNSGJSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 5 |
Molecular weight (Da) | 402.2 |
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 |
κ | OPRK | Guinea pig | Opioid | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 8.74 | 8.74 | 8.74 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 8.65 | 8.65 | 8.65 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 6.24 | 6.24 | 6.24 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.26 | 8.26 | 8.26 | ChEMBL |