CHEMBL458001


SMILES O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1
InChIKey IIGRUZXPSNFKHF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 499.2

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 6.28 6.28 6.28 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.38 6.38 6.38 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.2 6.2 6.2 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.31 6.31 6.31 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.81 6.81 6.81 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.64 5.64 5.64 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.09 6.09 6.09 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.22 7.22 7.22 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.28 5.28 5.28 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.52 7.52 7.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MRGPRX1 MRGX1 Human A orphans A pEC50 5.08 5.08 5.08 ChEMBL