CHEMBL5434229


SMILES COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(C(F)(F)F)n3)CC2)CC1
InChIKey UUBRCCCOMNXSPK-IYARVYRRSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 442.3

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
D4 DRD4 Human Dopamine A pKi 5.6 5.6 5.6 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.95 7.95 7.95 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.5 5.5 5.5 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.02 8.02 8.02 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.97 8.97 8.97 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.36 5.36 5.36 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.9 6.9 6.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 8.49 8.49 8.49 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.57 7.57 7.57 ChEMBL