A192621
SMILES | CCCOc1ccc(cc1)[C@@H]1N(CC(=O)Nc2c(CC)cccc2CC)C[C@@H]([C@H]1C(=O)O)c1ccc2c(c1)OCO2 |
InChIKey | LQEHCKYYIXQEBM-FUKIBTTHSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 558.3 |
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 |
ETB | EDNRB | Human | Endothelin | A | pKd | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
ETA | EDNRA | Human | Endothelin | A | pIC50 | 5.0 | 5.18 | 5.44 | ChEMBL |
ETB | EDNRB | Human | Endothelin | A | pIC50 | 7.92 | 8.35 | 9.1 | ChEMBL |