donecopride
SMILES | COc1cc(N)c(cc1C(=O)CCC1CCN(CC1)CC1CCCCC1)Cl |
InChIKey | FTRZTHFGTILUPE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 392.2 |
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 | 8.23 | 8.23 | 8.23 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 8.25 | 8.25 | 8.25 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 6.21 | 6.21 | 6.21 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pIC50 | 7.9 | 7.9 | 7.9 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.36 | 6.38 | 6.4 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 7.9 | 7.9 | 7.9 | ChEMBL |