CHEMBL4459592
SMILES | CN1/C(=C/C=C/C2=[N+](CCCCCC(=O)NCCCNC(=N)Nc3ccc4[nH]c5c(c4c3)C[C@@]3(O)[C@H]4Cc6ccc(O)c7c6[C@@]3(CCN4CC3CC3)[C@H]5O7)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 |
InChIKey | IBUUEIOFVTVLRF-PRFIPCBLSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 8 |
Rotatable bonds | 17 |
Molecular weight (Da) | 1126.5 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 7.51 | 7.51 | 7.51 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKd | 7.73 | 7.73 | 7.73 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |