ICI-89406
SMILES | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O |
InChIKey | HTLWRKRZKFAAAH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 9 |
Molecular weight (Da) | 354.2 |
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 | OPRD | Human | Opioid | A | pKi | 6.72 | 6.72 | 6.72 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.06 | 9.06 | 9.06 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.57 | 8.57 | 8.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |