CHEMBL3735311
SMILES | CCCCNC(=O)c1cc(C)c2nc(CCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)Nc4onc(C)c4C)cc3)c2c1 |
InChIKey | DRGUVRDBFPDYLQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 613.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 |
ETA | EDNRA | Human | Endothelin | A | pIC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 6.33 | 6.33 | 6.33 | ChEMBL |