MRS5151
SMILES | CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1C#CCCCC(=O)O)Cl |
InChIKey | CYQQUPOETXXUCK-CSTWGOEFSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 5 |
Rotatable bonds | 8 |
Molecular weight (Da) | 538.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Human | Adenosine | A | pKi | 4.83 | 4.83 | 4.83 | Guide to Pharmacology |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
A2A | AA2AR | Mouse | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
A1 | AA1R | Mouse | Adenosine | A | pKi | 4.98 | 4.98 | 4.98 | Guide to Pharmacology |
A3 | AA3R | Mouse | Adenosine | A | pKi | 7.61 | 7.61 | 7.61 | Guide to Pharmacology |
A3 | AA3R | Human | Adenosine | A | pKi | 8.62 | 8.62 | 8.62 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |