CL316243
SMILES | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O |
InChIKey | JEDJMKTVUPSHFW-ABAIWWIYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 8 |
Molecular weight (Da) | 421.1 |
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 | Human | Opioid | A | pKi | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
NOP | OPRX | Human | Opioid | A | pKi | 7.94 | 7.94 | 7.94 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKi | 6.17 | 6.17 | 6.17 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NOP | OPRX | Human | Opioid | A | pEC50 | 7.34 | 7.34 | 7.34 | Guide to Pharmacology |