UR-PG146
SMILES | O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C |
InChIKey | ZOBGKPFWPWGQOI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 8 |
Molecular weight (Da) | 335.2 |
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 | 5.71 | 5.71 | 5.71 | Guide to Pharmacology |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.48 | 5.48 | 5.48 | Guide to Pharmacology |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.66 | 7.66 | 7.66 | Guide to Pharmacology |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.66 | 7.8 | 8.08 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 5.97 | 5.97 | 5.97 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.66 | 7.66 | 7.66 | PDSP Ki database |
A3 | AA3R | Human | Adenosine | A | pKi | 5.97 | 5.97 | 5.97 | PDSP Ki database |
A1 | AA1R | Human | Adenosine | A | pKi | 5.71 | 5.71 | 5.71 | PDSP Ki database |
A1 | AA1R | Human | Adenosine | A | pKi | 5.71 | 5.71 | 5.71 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.48 | 5.48 | 5.48 | PDSP Ki database |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.48 | 5.48 | 5.48 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 5.97 | 5.97 | 5.97 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |