CHEMBL400236


SMILES CC(C)C(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21
InChIKey NDCFZCPGTKKFMD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 448.2

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
α1A ADA1A Rat Adrenoceptors A pKi 8.44 8.44 8.44 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.12 9.12 9.12 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.92 7.92 7.92 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.17 7.17 7.17 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.17 7.17 7.17 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.92 7.92 7.92 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.12 9.12 9.12 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database