MRS1086
SMILES | CCOc1ccc(c(c1)OCC)c1oc2cc(OCC)cc(c2c(=O)c1OCC)OCC |
InChIKey | JVGSHXMDRPGOQM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 11 |
Molecular weight (Da) | 442.2 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 4.6 | 4.6 | 4.6 | Guide to Pharmacology |
A3 | AA3R | Human | Adenosine | A | pKi | 5.14 | 5.14 | 5.14 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 4.49 | 4.49 | 4.49 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 4.5 | 4.5 | 4.5 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |