CHEMBL256041


SMILES CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1
InChIKey QJFXDZVKRFQGQF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 468.3

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 Human Adrenoceptors A pKi 6.15 6.66 7.16 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.09 7.53 7.96 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.21 7.52 7.82 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.74 6.83 6.92 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.09 7.52 7.96 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 6.15 6.66 7.16 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.74 6.83 6.92 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database