MRS1088
SMILES | Clc1ccc2c(c1)c(=O)c(c(o2)c1ccccc1)Cl |
InChIKey | PTNKLWUWHUGKTA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 1 |
Molecular weight (Da) | 290.0 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 4.3 | 4.3 | 4.3 | Guide to Pharmacology |
A3 | AA3R | Human | Adenosine | A | pKi | 6.1 | 6.1 | 6.1 | Guide to Pharmacology |
A3 | AA3R | Human | Adenosine | A | pKi | 6.13 | 6.13 | 6.13 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |