CHEMBL4845850


SMILES O=C1c2ccccc2C(=O)N1CC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2
InChIKey ZVNIAPHCOMMUCZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 428.1

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 5.85 5.85 5.85 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.33 5.33 5.33 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.19 6.19 6.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y6 P2RY6 Human P2Y A pIC50 5.33 5.33 5.33 ChEMBL