CHEMBL4848380


SMILES O=CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1
InChIKey JPGUEKOOSRXUSX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 503.2

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 5.84 5.84 5.84 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.58 5.58 5.58 ChEMBL
H4 HRH4 Human Histamine A pKi 5.77 5.77 5.77 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.4 5.4 5.4 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.28 6.28 6.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y14 P2Y14 Human P2Y A pIC50 7.44 7.44 7.44 ChEMBL