CHEMBL3144465
SMILES | N=C(N)NCCCCC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O |
InChIKey | HZRZSSCBJUXEJR-OXODEJSPSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 10 |
Rotatable bonds | 21 |
Molecular weight (Da) | 843.5 |
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 |
NOP | OPRX | Human | Opioid | A | pKi | 7.35 | 7.35 | 7.35 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |