alloswitch-1


SMILES COc1cc(/N=N/c2ccccn2)ccc1NC(=O)c1ccccc1Cl
InChIKey JJRNGNCTPCWXGM-WCWDXBQESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 366.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7P2L

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
ETA EDNRA Human Endothelin A pIC50 6.12 6.2 6.24 ChEMBL