CHEMBL93923


SMILES Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1
InChIKey DVICNJMXCZEIQX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 486.3

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 8.4 8.4 8.4 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 9.31 9.31 9.31 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.48 6.48 6.48 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 8.32 8.32 8.32 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.96 6.96 6.96 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.31 6.31 6.31 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.19 5.19 5.19 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.68 5.68 5.68 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.48 7.48 7.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database