S6821


SMILES CC1=NOC(C)=C1CN2C=C(C=N2)N3C(=O)CN(CC4=CC=CC(O)=C4)C3=O
InChIKey LLJBKECMPVCSDS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 381.1

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
TAS2R14 T2R14 Human Taste 2 T2 pEC50 4.4 4.4 4.4 ChEMBL
TAS2R8 TA2R8 Human Taste 2 T2 pIC50 7.7 7.7 7.7 Guide to Pharmacology
TAS2R8 TA2R8 Human Taste 2 T2 pIC50 7.46 7.56 7.7 ChEMBL