CHEMBL297428
SMILES | CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2CC1CC1 |
InChIKey | FAVQVALXVLMHLE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 298.2 |
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 | 8.08 | 8.08 | 8.08 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 9.28 | 9.28 | 9.28 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 8.28 | 8.61 | 9.28 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 10.22 | 10.22 | 10.22 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.51 | 9.51 | 9.51 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 8.28 | 8.28 | 8.28 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 10.22 | 10.22 | 10.22 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 9.51 | 9.51 | 9.51 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 8.06 | 8.34 | 8.62 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 7.82 | 7.82 | 7.82 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.31 | 8.66 | 9.0 | ChEMBL |