CHEMBL198463


SMILES CN1CCc2c(sc3ncn(CCN4CCN(c5ccnc6ccccc56)CC4)c(=O)c23)C1
InChIKey IXHFUNSVBJAYHP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 460.2

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-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.93 6.93 6.93 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.01 8.01 8.01 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.35 8.35 8.35 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.64 7.64 7.64 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.26 8.26 8.26 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.89 8.89 8.89 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.92 8.92 8.92 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.84 8.84 8.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pIC50 7.07 7.07 7.07 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 5.88 5.88 5.88 ChEMBL