CHEMBL69664
SMILES | CCCOc1ccc2c(c1)c(-c1ccc3c(c1)OCO3)c(C(=O)O)n2Cc1ccc2nonc2c1 |
InChIKey | PDDMKQWEOKOAQN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 471.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
ETA | EDNRA | Rat | Endothelin | A | pIC50 | 5.6 | 5.6 | 5.6 | ChEMBL |
ETB | EDNRB | Human | Endothelin | A | pIC50 | 5.28 | 5.28 | 5.28 | ChEMBL |
ETA | EDNRA | Human | Endothelin | A | pIC50 | 5.6 | 5.6 | 5.6 | ChEMBL |