CHEMBL4857492


SMILES O=C(O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1
InChIKey YHEJLDMRDBHXIJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 389.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D5 DRD5 Human Dopamine A pKi 5.68 5.68 5.68 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.0 6.0 6.0 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.58 5.58 5.58 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.75 5.75 5.75 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.96 5.96 5.96 ChEMBL
μ OPRM Human Opioid A pKi 5.38 5.38 5.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y6 P2RY6 Human P2Y A pIC50 5.96 5.96 5.96 ChEMBL