CHEMBL12177


SMILES Cc1sc2nc(SCCCN3CCN(c4ncccn4)CC3)n(N)c(=O)c2c1C
InChIKey FBVVCNRRXMQYPZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 431.2

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 Rat 5-Hydroxytryptamine A pKi 8.43 8.43 8.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.17 8.17 8.17 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.7 5.7 5.7 ChEMBL
D1 DRD1 Rat Dopamine A pIC50 6.22 6.22 6.22 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 5.7 5.7 5.7 ChEMBL