CHEMBL96273
SMILES | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(NC(=N)N)cc4c2C[C@@]3(O)C1C5 |
InChIKey | YMNSASVAVCIKSU-DMJBVAGSSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 6 |
Rotatable bonds | 1 |
Molecular weight (Da) | 431.2 |
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 | Rat | Opioid | A | pKi | 8.55 | 8.55 | 8.55 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |