CHEMBL2024151
SMILES | CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3nc4ccccc4n4c(=O)n(-c5ccc(OC)cc5)nc34)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 |
InChIKey | HCXPCPSUEGMFJQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 17 |
Hydrogen bond donors | 4 |
Rotatable bonds | 27 |
Molecular weight (Da) | 1175.4 |
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 |
A3 | AA3R | Human | Adenosine | A | pKd | 6.83 | 6.83 | 6.83 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |