CHEMBL3545624
SMILES | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 |
InChIKey | PICPCIFZWHBKPD-RQNOJGIXSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 360.2 |
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 |
NOP | OPRX | Human | Opioid | A | pKi | 9.52 | 9.76 | 10.0 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 8.31 | 8.31 | 8.31 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.64 | 8.64 | 8.64 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.22 | 9.41 | 9.59 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NOP | OPRX | Human | Opioid | A | pEC50 | 4.96 | 4.96 | 4.96 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.0 | 6.0 | 6.0 | ChEMBL |