CHEMBL238280
SMILES | N=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 |
InChIKey | ZTROKUVCIXKYCV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 346.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.94 | 5.94 | 5.94 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.69 | 7.69 | 7.69 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 6.67 | 6.67 | 6.67 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 5.94 | 5.94 | 5.94 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 7.69 | 7.69 | 7.69 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |