CHEMBL4217988
SMILES | N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(-c2cccc(C(F)(F)F)c2)cc1-c1ccnc(CNCCC2CCNCC2)c1 |
InChIKey | WSPHMGORSRQULF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 3 |
Rotatable bonds | 12 |
Molecular weight (Da) | 719.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Human | Adenosine | A | pEC50 | 5.84 | 5.84 | 5.84 | ChEMBL |