diquafosol
SMILES | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |
InChIKey | NMLMACJWHPHKGR-NCOIDOBVSA-N |
Chemical properties
Hydrogen bond acceptors | 21 |
Hydrogen bond donors | 10 |
Rotatable bonds | 14 |
Molecular weight (Da) | 790.0 |
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 |
GIP | GIPR | Human | Glucagon | B1 | pKd | 8.7 | 8.7 | 8.7 | Guide to Pharmacology |
GIP | GIPR | Human | Glucagon | B1 | pKi | 9.12 | 9.12 | 9.12 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GIP | GIPR | Rat | Glucagon | B1 | pIC50 | 8.6 | 8.6 | 8.6 | Guide to Pharmacology |