fluprostenol
SMILES | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O |
InChIKey | WWSWYXNVCBLWNZ-QIZQQNKQSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 458.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
ghrelin | GHSR | Human | Ghrelin | A | pKd | 9.85 | 9.85 | 9.85 | ChEMBL |
ghrelin | GHSR | Human | Ghrelin | A | pKi | 9.62 | 9.62 | 9.62 | ChEMBL |
ghrelin | GHSR | Human | Ghrelin | A | pKi | 9.34 | 9.34 | 9.34 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
ghrelin | GHSR | Human | Ghrelin | A | pIC50 | 6.52 | 8.55 | 9.4 | ChEMBL |
ghrelin | GHSR | Human | Ghrelin | A | pEC50 | 8.85 | 9.19 | 9.7 | ChEMBL |
ghrelin | GHSR | Human | Ghrelin | A | pEC50 | 8.62 | 9.17 | 9.72 | Guide to Pharmacology |
ghrelin | GHSR | Rat | Ghrelin | A | pEC50 | 8.89 | 8.89 | 8.89 | ChEMBL |
GHRH | GHRHR | Rat | Glucagon | B1 | pEC50 | 8.82 | 8.82 | 8.82 | ChEMBL |