CHEMBL4483546
SMILES | COc1cc(CCNc2nc(C#Cc3ccc(Br)s3)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)ccc1O |
InChIKey | AAXCBTOWLIXBEE-ZIEHKDSXSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 581.1 |
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 |
A1 | AA1R | Mouse | Adenosine | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
A3 | AA3R | Mouse | Adenosine | A | pKi | 7.58 | 7.58 | 7.58 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.49 | 8.49 | 8.49 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pEC50 | 6.16 | 6.16 | 6.16 | ChEMBL |