CHEMBL2387191
SMILES | CC(C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1 |
InChIKey | IBVAETNABFDYAY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 326.2 |
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 | 8.0 | 8.0 | 8.0 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.36 | 7.36 | 7.36 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NOP | OPRX | Human | Opioid | A | pEC50 | 7.08 | 7.08 | 7.08 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 6.06 | 6.06 | 6.06 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.55 | 7.55 | 7.55 | ChEMBL |