CHEMBL4117406


SMILES CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1
InChIKey YIJMYSUOYUNZGL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 447.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Rat Adrenoceptors A pKi 5.7 5.7 5.7 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.1 6.1 6.1 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.7 5.7 5.7 ChEMBL
H1 HRH1 Human Histamine A pKd 9.27 9.27 9.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 6.2 6.2 6.2 ChEMBL