CHEMBL318901


SMILES Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1
InChIKey SQHPLCBBYWXCOO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 563.2

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 9.41 9.41 9.41 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 8.89 8.89 8.89 ChEMBL
D1 DRD1 Rat Dopamine A pKi 5.8 5.8 5.8 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.25 6.25 6.25 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.43 6.43 6.43 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.44 5.44 5.44 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.96 5.96 5.96 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.23 6.23 6.23 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.26 7.26 7.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database