CHEMBL356210
SMILES | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1S[C@H]2CCC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O |
InChIKey | OSPSORLWNXSRNN-HXAAYVCFSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 10 |
Rotatable bonds | 22 |
Molecular weight (Da) | 903.4 |
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 |
NOP | OPRX | Human | Opioid | A | pKi | 5.67 | 5.67 | 5.67 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 4.96 | 4.96 | 4.96 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |