compound 24 [PMID: 26987013 ]
SMILES | O=C1c2c(ccc(c2C(=O)N1c1ccc[n+](c1C)[O-])Cl)NS(=O)(=O)c1ccc(cc1)C(C)(C)C |
InChIKey | SEZYEWZALINSCW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 499.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
ETA | EDNRA | Rat | Endothelin | A | pIC50 | 8.32 | 8.71 | 9.11 | ChEMBL |
ETB | EDNRB | Human | Endothelin | A | pIC50 | 4.17 | 4.17 | 4.17 | ChEMBL |