isobutylmethylxanthine


SMILES CC(Cn1c(=O)n(C)c(=O)c2c1nc[nH]2)C
InChIKey APIXJSLKIYYUKG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 222.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Human Endothelin A pKi 8.16 8.16 8.16 Drug Central
ETA EDNRA Human Endothelin A pKi 8.02 8.02 8.02 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pIC50 7.66 7.66 7.66 Guide to Pharmacology
ETA EDNRA Human Endothelin A pA2 7.1 7.1 7.1 Guide to Pharmacology
ETB EDNRB Human Endothelin A pIC50 5.92 6.31 6.71 ChEMBL
ETA EDNRA Human Endothelin A pIC50 7.66 8.33 9.0 ChEMBL
ETB EDNRB Human Endothelin A pIC50 5.92 5.92 5.92 Guide to Pharmacology