(S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)methyl)-3-phenylpropanamido)-3-phenylpropanoic acid
| SMILES | CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O |
| InChIKey | SRDVMFLKEOZHGC-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 514.3 |
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 |
| κ | OPRK | Human | Opioid | A | pKi | 6.6 | 6.6 | 6.6 | PDSP Ki database |
| μ | OPRM | Human | Opioid | A | pKi | 8.77 | 8.77 | 8.77 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 7.82 | 7.82 | 7.82 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |