tetronothiodin


SMILES OC1C/C=C/CC(C)C2C(SCC2C(=O)C2=C(OC3(C(C/C=C/C=C/C1)C=C(C)C(C3)C)C2=O)O)C(=O)C(=O)O
InChIKey RMYJUZDMOJDYES-SFYXYOTASA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 2
Molecular weight (Da) 570.2

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
B1 BKRB1 Human Bradykinin A pKi 9.11 9.13 9.15 ChEMBL
B1 BKRB1 Human Bradykinin A pKd 7.4 7.4 7.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pIC50 8.5 8.5 8.5 Guide to Pharmacology
B1 BKRB1 Human Bradykinin A pIC50 8.47 8.78 9.4 ChEMBL
B1 BKRB1 Rat Bradykinin A pIC50 8.4 8.4 8.4 ChEMBL
B1 BKRB1 Rat Bradykinin A pIC50 8.3 8.4 8.5 Guide to Pharmacology
B1 BKRB1 Rabbit Bradykinin A pIC50 7.77 7.77 7.77 ChEMBL