CHEMBL1076242
SMILES | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O |
InChIKey | DJCHJXJTDJZMOI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 448.3 |
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 | 8.19 | 8.19 | 8.19 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NOP | OPRX | Human | Opioid | A | pIC50 | 7.68 | 7.68 | 7.68 | ChEMBL |