MRS1042
SMILES | CCCOc1cc(OCCC)c2c(c1)oc(c(c2=O)OCCC)c1ccccc1 |
InChIKey | ABZJCSJCNNCZRY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 10 |
Molecular weight (Da) | 396.2 |
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 | Human | Adenosine | A | pKi | 5.5 | 5.5 | 5.5 | Guide to Pharmacology |
A3 | AA3R | Human | Adenosine | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |