ibutamoren
SMILES | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C |
InChIKey | UMUPQWIGCOZEOY-JOCHJYFZSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 528.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 7NA8 |
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
ghrelin | GHSR | Human | Ghrelin | A | pKi | 9.34 | 9.34 | 9.34 | Guide to Pharmacology |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
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 |
ghrelin | GHSR | Human | Ghrelin | A | pEC50 | 8.85 | 9.18 | 9.7 | ChEMBL |
ghrelin | GHSR | Human | Ghrelin | A | pIC50 | 6.52 | 8.55 | 9.4 | ChEMBL |
GHRH | GHRHR | Rat | Glucagon | B1 | pEC50 | 8.82 | 8.82 | 8.82 | ChEMBL |