compound 48/80


SMILES CNCCc1cc(Cc2cc(CCNC)ccc2OC)c(c(c1)Cc1cc(CCNC)ccc1OC)OC
InChIKey DXEVTBAWIGXNAW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 16
Molecular weight (Da) 519.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7VDH 7VV6 7VV5

Sankey plot

Compound is not listed as a drug.

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
MRGPRX2 MRGX2 Human A orphans A pEC50 5.74 5.74 5.74 Guide to Pharmacology