CHEMBL3946995


SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1ccco1
InChIKey AAELEHAFAYIZRH-WGSAOQKQSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 438.2

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
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.89 8.89 8.89 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.89 9.89 9.89 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.64 9.64 9.64 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.54 8.54 8.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 7.34 7.34 7.34 ChEMBL
D3 DRD3 Human Dopamine A pIC50 8.86 8.86 8.86 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.5 7.5 7.5 ChEMBL
D2 DRD2 Human Dopamine A pIC50 7.21 7.21 7.21 ChEMBL