BISACODYL


SMILES CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1
InChIKey KHOITXIGCFIULA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 361.1

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
κ OPRK Human Opioid A pKi 6.01 6.01 6.01 ChEMBL
κ OPRK Human Opioid A pKi 8.22 8.22 8.22 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pIC50 6.04 6.04 6.04 ChEMBL
κ OPRK Human Opioid A pIC50 5.61 5.61 5.61 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.6 5.75 5.9 ChEMBL