CHEMBL420997


SMILES Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1
InChIKey FVDPLVKCBNWFME-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 428.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Golden hamster Adrenoceptors A pKi 8.49 8.49 8.49 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 9.0 9.0 9.0 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.47 6.47 6.47 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.04 6.04 6.04 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.92 5.92 5.92 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database