ONDANSETRON


SMILES Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
InChIKey FELGMEQIXOGIFQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 293.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pKi 4.7 4.7 4.7 ChEMBL
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 5.92 5.92 5.92 ChEMBL
CCK2 GASR Rat Cholecystokinin A pKi 6.17 6.17 6.17 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.43 5.43 5.43 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 ChEMBL
μ OPRM Rat Opioid A pKi 5.54 5.54 5.54 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.34 7.47 8.6 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
μ OPRM Rat Opioid A pKi 8.26 8.26 8.26 Drug Central
CCK2 GASR Rat Cholecystokinin A pKi 8.21 8.21 8.21 Drug Central
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 8.28 8.28 8.28 Drug Central
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.27 8.27 8.27 Drug Central
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pKi 8.33 8.33 8.33 Drug Central
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 8.3 8.3 8.3 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.14 6.14 6.14 ChEMBL