CHEMBL4752423
SMILES | CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 |
InChIKey | ASENGHRUTMGCNR-YNWXFNELSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 6 |
Rotatable bonds | 16 |
Molecular weight (Da) | 657.3 |
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 |
μ | OPRM | Mouse | Opioid | A | pKi | 8.51 | 8.51 | 8.51 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Human | Opioid | A | pIC50 | 6.59 | 6.59 | 6.59 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.09 | 8.09 | 8.09 | ChEMBL |