CP-481,715
SMILES | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C |
InChIKey | YEQJVHQCUDMXFG-FHZYATBESA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 482.2 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKd | 10.32 | 10.32 | 10.32 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.74 | 5.74 | 5.74 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.96 | 9.04 | 10.32 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKd | 8.33 | 8.52 | 8.71 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.95 | 7.32 | 8.95 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.95 | 5.95 | 5.95 | Guide to Pharmacology |
A2A | AA2AR | Human | Adenosine | A | pKi | 8.4 | 9.35 | 10.3 | Guide to Pharmacology |
A2B | AA2BR | Human | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
A3 | AA3R | Human | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |