MRS1067
SMILES | CC(Oc1cc(C)ccc1c1oc2ccc(cc2c(=O)c1Cl)Cl)C |
InChIKey | PWGZOUCWGRTPSM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 362.0 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
A3 | AA3R | Rat | Adenosine | A | pKi | 5.26 | 5.26 | 5.26 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 4.0 | 4.0 | 4.0 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.25 | 7.75 | 9.25 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |