CHEMBL4523014
SMILES | CCc1ccc2nc(N3CCC(N[C@@H](C)C(C)C)CC3)c(-c3nc(C)no3)cc2c1 |
InChIKey | NCMLJUYBNDZNQL-INIZCTEOSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 407.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pIC50 | 9.12 | 9.12 | 9.12 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 5.48 | 5.48 | 5.48 | ChEMBL |