CHEMBL3262544
SMILES | CCC1C(=O)N(C2CCN([C@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21 |
InChIKey | VPIVGIRSGLBSJH-LIVGCHIRSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 414.3 |
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 |
NOP | OPRX | Human | Opioid | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.09 | 8.09 | 8.09 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NOP | OPRX | Human | Opioid | A | pEC50 | 7.66 | 7.66 | 7.66 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.25 | 7.25 | 7.25 | ChEMBL |