SR101099
SMILES | CN(CCCOc1cc(ccc1Cl)c1nc(ccc1c1ccccc1C)C(=O)NC1(CCCCC1)C(=O)O)C |
InChIKey | XCIGPFMHSRYJDG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 549.2 |
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 |
μ | OPRM | Rat | Opioid | A | pKi | 8.12 | 8.12 | 8.12 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.43 | 7.43 | 7.43 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.82 | 8.82 | 8.82 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |