L-654,284


SMILES CCOC1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C=S)C(=O)NC(CCCCN)C(=O)N)NC(=O)CC3(CCCCC3)S
InChIKey VNEOOMJYPUDQOL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 10
Rotatable bonds 28
Molecular weight (Da) 953.5

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
α2A ADA2A Human Adrenoceptors A pKi 9.44 9.44 9.44 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 9.85 9.85 9.85 PDSP Ki database
α2B ADA2B Rat Adrenoceptors A pKi 9.32 9.32 9.32 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database