TRIOXSALEN


SMILES Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1
InChIKey FMHHVULEAZTJMA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 0
Molecular weight (Da) 228.1

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
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.91 5.91 5.91 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.13 6.13 6.13 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
A2A AA2AR Human Adenosine A pKi 8.21 8.21 8.21 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.63 5.63 5.63 ChEMBL
A2A AA2AR Human Adenosine A pIC50 5.88 5.88 5.88 ChEMBL