CHEMBL4633982


SMILES O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1
InChIKey WYKMWZDXNRNMFC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 492.2

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
α2B ADA2B Human Adrenoceptors A pKi 5.27 5.27 5.27 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.57 5.57 5.57 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.02 6.02 6.02 ChEMBL
δ OPRD Human Opioid A pKi 5.42 5.42 5.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y14 P2Y14 Mouse P2Y A pIC50 6.61 6.61 6.61 ChEMBL
P2Y14 P2Y14 Human P2Y A pIC50 6.18 6.18 6.18 ChEMBL