CHEMBL1650842
SMILES | OCC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1 |
InChIKey | VQPNXBFJBVXIBH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 469.2 |
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 | 9.14 | 9.14 | 9.14 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NOP | OPRX | Human | Opioid | A | pEC50 | 8.05 | 8.05 | 8.05 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 5.91 | 5.91 | 5.91 | ChEMBL |