ISAM-140
SMILES | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C |
InChIKey | NYHLRBMDXQBOIB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 337.1 |
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 |
A2B | AA2BR | Human | Adenosine | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 8.46 | 8.46 | 8.46 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |