PENECA
SMILES | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#Cc1ccccc1)nc2N |
InChIKey | SWXXHYTUMIMRFO-KSVNGYGVSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 408.2 |
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 | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
A3 | AA3R | Human | Adenosine | A | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
A2A | AA2AR | Rat | Adenosine | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.21 | 8.21 | 8.21 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.25 | 6.25 | 6.25 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Rat | Adenosine | A | pEC50 | 5.82 | 5.82 | 5.82 | ChEMBL |