CHEMBL4216860


SMILES COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(c2ccccc2O)S[C@@H]1C
InChIKey WSMFZWOSGRIXPV-DGFSRKRXSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 388.1

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-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.85 5.85 5.85 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.48 5.48 5.48 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.09 6.09 6.09 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.51 6.51 6.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.0 5.0 5.0 ChEMBL