CHEMBL13816


SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIKey REJFPXMKRRYBSC-UCNVEGJOSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 389.2

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-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.22 7.22 7.22 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 6.0 6.1 6.2 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pIC50 5.85 5.85 5.85 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 6.82 6.82 6.82 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 7.22 7.22 7.22 ChEMBL