ICI 204448
SMILES | OC(=O)COc1cccc(c1)C(N(C(=O)Cc1ccc(c(c1)Cl)Cl)C)CN1CCCC1 |
InChIKey | JKYJSFISYHSNOE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 464.1 |
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 |
κ | OPRK | Rat | Opioid | A | pKi | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKi | 8.57 | 8.57 | 8.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Mouse | Opioid | A | pIC50 | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
δ | OPRD | Human | Opioid | A | pEC50 | 4.76 | 4.76 | 4.76 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 8.13 | 8.13 | 8.13 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.5 | 4.5 | 4.5 | ChEMBL |