CHEMBL1172247
SMILES | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CSSC[C@@H](N)C1=O |
InChIKey | OYHTUAKSBPLZSH-LTIDWATBSA-N |
Chemical properties
Hydrogen bond acceptors | 18 |
Hydrogen bond donors | 17 |
Rotatable bonds | 22 |
Molecular weight (Da) | 1357.5 |
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 |
μ | OPRM | Rat | Opioid | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 8.04 | 8.04 | 8.04 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 6.39 | 6.39 | 6.39 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 5.8 | 6.1 | 6.4 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |