ACT-335827


SMILES COc1cc(ccc1OC)C[C@H]1c2cc(OC)c(cc2CCN1[C@H](c1ccccc1)C(=O)NC(C)C)OC
InChIKey HXHOBPVRRPCTLG-SETSBSEESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 518.3

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
D4 DRD4 Human Dopamine A pKi 6.24 6.24 6.24 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.49 7.79 8.39 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.23 6.23 6.23 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.19 8.19 8.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 9.0 9.0 9.0 ChEMBL