CHEMBL55033
SMILES | CCC12CCN(CC3CC3)C(C(=O)c3ccc(O)cc31)C2C |
InChIKey | SEJUQQOPVAUETF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 299.2 |
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 | A0A286XTF2 | Guinea pig | Opioid | A | pKi | 8.47 | 8.47 | 8.47 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 6.73 | 8.38 | 9.21 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 8.47 | 8.47 | 8.47 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.21 | 9.21 | 9.21 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.11 | 9.11 | 9.11 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.51 | 9.02 | 9.52 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 7.0 | 7.74 | 8.47 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 9.4 | 9.7 | 10.0 | PDSP Ki database |
κ | OPRK | Guinea pig | Opioid | A | pKi | 10.0 | 10.0 | 10.0 | PDSP Ki database |
δ | A0A286XTF2 | Guinea pig | Opioid | A | pKi | 8.7 | 8.7 | 8.7 | PDSP Ki database |
μ | OPRM | Rat | Opioid | A | pKi | 8.71 | 8.71 | 8.71 | PDSP Ki database |
κ | OPRK | Rat | Opioid | A | pKi | 7.55 | 8.32 | 8.67 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |