CHEMBL4856060


SMILES CC(C)(C)OC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2
InChIKey LIKDQKPQARRCAR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 398.1

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 5.9 5.9 5.9 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.03 6.03 6.03 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.77 5.77 5.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y6 P2RY6 Human P2Y A pIC50 5.92 5.92 5.92 ChEMBL