CHEMBL450341
SMILES | CCCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 |
InChIKey | UOQYIXROQIKTLQ-JYMLRBTQSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 371.2 |
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 | 5.57 | 5.57 | 5.57 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKd | 8.88 | 8.88 | 8.88 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.66 | 7.66 | 7.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |