CPX
SMILES | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 |
InChIKey | MJVIGUCNSRXAFO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 236.1 |
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 | Human | Adenosine | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
A2A | AA2AR | Guinea pig | Adenosine | A | pKi | 5.52 | 5.55 | 5.57 | ChEMBL |
A1 | AA1R | Guinea pig | Adenosine | A | pKi | 5.85 | 6.18 | 6.7 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 5.58 | 5.58 | 5.58 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.8 | 6.19 | 6.35 | ChEMBL |
A1 | AA1R | Chicken | Adenosine | A | pKi | 7.95 | 7.95 | 7.95 | PDSP Ki database |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.35 | 6.35 | 6.35 | PDSP Ki database |
A1 | AA1R | Human | Adenosine | A | pKi | 8.6 | 8.6 | 8.6 | PDSP Ki database |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.81 | 6.81 | 6.81 | PDSP Ki database |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.25 | 7.28 | 7.3 | PDSP Ki database |
A3 | AA3R | Human | Adenosine | A | pKi | 6.29 | 6.29 | 6.29 | PDSP Ki database |
A2B | AA2BR | Human | Adenosine | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Rat | Adenosine | A | pIC50 | 5.82 | 5.82 | 5.82 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pEC50 | 7.3 | 7.3 | 7.3 | ChEMBL |