PPTN-NC


SMILES Cc1c(C(=O)O)cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12
InChIKey MDSNOUPPFQBVBS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Na
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y14 P2Y14 Human P2Y A pKi 5.07 5.07 5.07 ChEMBL
D5 DRD5 Human Dopamine A pKi 5.54 5.54 5.54 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.44 5.44 5.44 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.74 5.74 5.74 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.49 5.49 5.49 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.67 5.67 5.67 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y14 P2Y14 Human P2Y A pIC50 5.36 5.36 5.36 ChEMBL