S-(R)-1-((2S,3R)-1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl)-3-phenylpropyl ethanethioate
SMILES | CC(=O)SC(CCC1=CC=CC=C1)C2C(N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O |
InChIKey | CFRFZOJZPLDJPP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 449.1 |
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 |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 7.28 | 7.28 | 7.28 | PDSP Ki database |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 6.55 | 6.55 | 6.55 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |