CHEMBL2402928
SMILES | CN(C)/C1=N/C[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CN1 |
InChIKey | YHOCGQJMUGVVGJ-CWBXHPNXSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 8 |
Rotatable bonds | 7 |
Molecular weight (Da) | 609.3 |
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 | 7.24 | 7.24 | 7.24 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Rat | Opioid | A | pEC50 | 5.73 | 5.74 | 5.74 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pIC50 | 7.15 | 7.15 | 7.15 | ChEMBL |