compound 1a [PMID: 24900311]
SMILES | COc1cc(OC)cc(c1)C(=O)NNC(=O)Nc1ccc2c(c1)cccc2 |
InChIKey | IFQNPGNCFXITTG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 365.1 |
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 |
NOP | OPRX | Human | Opioid | A | pKi | 7.47 | 7.47 | 7.47 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.22 | 5.22 | 5.22 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.52 | 5.52 | 5.52 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.71 | 5.71 | 5.71 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |