CHEMBL97242


SMILES Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1
InChIKey SPHRCFFKJXRWLW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 489.2

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 9.16 9.16 9.16 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 9.46 9.46 9.46 ChEMBL
D1 DRD1 Rat Dopamine A pKi 5.58 5.58 5.58 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.66 6.66 6.66 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.72 6.72 6.72 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.24 5.24 5.24 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.39 6.39 6.39 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.85 5.85 5.85 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.31 7.31 7.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database