compound 16 [PMID: 31498617]
SMILES | COc1ccccc1S(=O)(=O)Nc1ccc(cc1Oc1ccc2c(c1)ccnc2N)C |
InChIKey | BWEJNHRMGZUMNU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 435.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pKi | 5.61 | 5.61 | 5.61 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKi | 4.92 | 4.92 | 4.92 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pKi | 5.43 | 5.43 | 5.43 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MRGPRX1 | MRGX1 | Human | A orphans | A | pEC50 | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
MRGPRX1 | MRGX1 | Human | A orphans | A | pEC50 | 7.3 | 7.3 | 7.3 | ChEMBL |