REDIOCIDE A


SMILES CC(C)CC(=O)O[C@H]1/C=C/C=C/C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(c6ccccc6)O[C@@H]([C@@H](C)[C@@]23O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C
InChIKey ZAVYYYQORHVVFN-BDGVIKSFSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 794.4

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
CCR6 CCR6 Human Chemokine A pIC50 6.58 6.58 6.58 ChEMBL
glucagon GLR Human Glucagon B1 pIC50 8.4 8.4 8.4 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 7.89 7.89 7.89 ChEMBL
α1B ADA1B Human Adrenoceptors A pIC50 6.67 6.67 6.67 ChEMBL