PD168,077


SMILES N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C
InChIKey DNULYRGWTFLJQL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 334.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Rat Dopamine A pKi 8.8 8.8 8.8 Guide to Pharmacology
5-HT1A 5HT1A Mouse 5-Hydroxytryptamine A pKi 6.42 6.42 6.42 ChEMBL
α2A ADA2A Rat Adrenoceptors A pKi 6.78 6.78 6.78 ChEMBL
A2B AA2BR Rat Adenosine A pKi 6.75 6.75 6.75 ChEMBL
D2 DRD2 Bovine Dopamine A pKi 4.74 5.85 7.6 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.77 8.06 8.64 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.33 5.44 5.55 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.4 5.4 5.4 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.43 5.6 5.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 8.1 8.1 8.1 ChEMBL
D4 DRD4 Human Dopamine A pEC50 7.77 8.02 8.16 ChEMBL