CHEMBL3770981


SMILES CCOC(=O)c1cccc(NC2=NC(N(C)C)=NC3(CCCCC3)N2)c1
InChIKey XMHPSFHTLVKATH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 357.2

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-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 6.22 6.22 6.22 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.01 5.01 5.01 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.42 5.42 5.42 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.29 6.29 6.29 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.32 5.32 5.32 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.42 7.42 7.42 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.92 5.92 5.92 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.81 5.81 5.81 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.94 6.94 6.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.55 6.55 6.55 ChEMBL