CHEMBL5171456


SMILES COc1ccccc1N1CCN(c2nc(N)nc(NCCc3c[nH]c4ccccc34)n2)CC1
InChIKey UYTFDTBLSZRMME-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 444.2

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 5.1 5.1 5.1 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.54 5.54 5.54 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 4.56 4.56 4.56 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 4.89 4.89 4.89 ChEMBL
D2 DRD2 Human Dopamine A pKi 4.87 4.87 4.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database