CHEMBL98241


SMILES C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O
InChIKey WCWNYVYNQAPOOX-OAHLLOKOSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 423.2

Drug properties

Molecular type Small molecule
Endogenous/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 6.77 6.77 6.77 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 5.23 5.23 5.23 ChEMBL
D3 DRD3 Rat Dopamine A pKi 6.92 6.92 6.92 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.58 5.58 5.58 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 8.85 8.85 8.85 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.72 6.76 6.78 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 4.83 5.69 6.54 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.8 8.86 8.89 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.31 7.31 7.31 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.01 6.01 6.01 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.31 6.41 6.52 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.23 7.23 7.23 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.24 6.24 6.24 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.11 5.11 5.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database