CHEMBL313424


SMILES Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1
InChIKey KNLXBMUXNMBWBW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 488.2

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
α1A ADA1A Bovine Adrenoceptors A pKi 9.21 9.21 9.21 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 8.1 8.1 8.1 ChEMBL
D1 DRD1 Rat Dopamine A pKi 5.35 5.35 5.35 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.32 6.32 6.32 ChEMBL
D2 DRD2 Rat Dopamine A pKi 5.64 5.64 5.64 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.31 5.31 5.31 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.51 5.51 5.51 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.6 7.6 7.6 ChEMBL
α1B ADA1B Golden hamster Adrenoceptors A pKi 8.49 8.49 8.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database