CHEMBL184260
SMILES | CCCC1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 |
InChIKey | PEEUFKOCRYUIOD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 391.2 |
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 | 6.64 | 6.64 | 6.64 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.73 | 6.73 | 6.73 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NOP | OPRX | Human | Opioid | A | pEC50 | 5.79 | 5.79 | 5.79 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 5.5 | 5.5 | 5.5 | ChEMBL |