CHEMBL458220


SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1
InChIKey OZAJLQLEAWUZSC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 513.2

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 Human 5-Hydroxytryptamine A pKi 6.23 6.23 6.23 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.34 6.34 6.34 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.47 5.47 5.47 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.01 7.01 7.01 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.52 6.52 6.52 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.45 5.45 5.45 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.28 7.28 7.28 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.29 5.29 5.29 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.84 5.84 5.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MRGPRX1 MRGX1 Human A orphans A pEC50 6.9 6.9 6.9 ChEMBL