CHEMBL3940712


SMILES O=C(NCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1
InChIKey HTHHKXUTDJTRGL-AFARHQOCSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 477.3

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
D3 DRD3 Human Dopamine A pKi 9.74 9.74 9.74 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.04 9.04 9.04 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.28 8.28 8.28 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.85 8.85 8.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database