CHEMBL3695254
SMILES | O=C1NC(=O)C2(CCN(c3nc4ccccc4n([C@@H]4C[C@@H]5CC[C@H](C4)N5C4CCCCCCC4)c3=O)CC2)N1 |
InChIKey | NMDQQLIBCTWDCI-JKHIJQBDSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 532.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.19 | 6.19 | 6.19 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 4.94 | 4.94 | 4.94 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |