CHEMBL5190020


SMILES COc1ccccc1NCCNc1nc(N)nc(NCCc2c[nH]c3ccccc23)n1
InChIKey CSDBSZTUUSMSCP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 10
Molecular weight (Da) 418.2

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-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.24 5.24 5.24 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.55 5.55 5.55 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 4.84 4.84 4.84 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 4.43 4.43 4.43 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.41 5.41 5.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database