(S)-2-(biphenyl-4-ylmethyl-{3-[(3R,4R)-4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-yl]-propionyl}-amino)-3-phenyl-propionic acid
SMILES | CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(=O)N(CC3=CC=C(C=C3)C4=CC=CC=C4)C(CC5=CC=CC=C5)C(=O)O |
InChIKey | QIDWLHXLGKPNAX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 590.3 |
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 | 6.64 | 6.64 | 6.64 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 7.13 | 7.13 | 7.13 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 7.28 | 7.28 | 7.28 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |