CHEMBL263434
SMILES | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCNCCSSCCNCCCCCCNCc3ccccc3C(=O)N(C)CCCCCCN(C)c3nc(N)c4cc(OC)c(OC)cc4n3)nc(N)c2cc1OC |
InChIKey | VZDUXQGYCAXMBA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 20 |
Hydrogen bond donors | 6 |
Rotatable bonds | 47 |
Molecular weight (Da) | 1276.8 |
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 |
α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 5.73 | 5.73 | 5.73 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 5.73 | 5.73 | 5.73 | ChEMBL |