SCH442416
SMILES | COc1ccc(cc1)CCCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1 |
InChIKey | AEULVFLPCJOBCE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 389.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
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 |
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 | 6.77 | 8.42 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 8.4 | 9.35 | 10.3 | Guide to Pharmacology |
A1 | AA1R | Human | Adenosine | A | pKi | 5.95 | 5.95 | 5.95 | 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 |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.74 | 5.74 | 5.74 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |