CHEMBL458002


SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1
InChIKey ADETWEPXXIGKFW-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

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.11 6.11 6.11 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.13 6.13 6.13 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.25 6.25 6.25 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.08 6.08 6.08 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.52 7.52 7.52 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.41 8.41 8.41 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.62 5.62 5.62 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.11 6.11 6.11 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.67 8.67 8.67 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.31 5.31 5.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MRGPRX1 MRGX1 Human A orphans A pEC50 5.39 5.39 5.39 ChEMBL