RS 67333


SMILES CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N
InChIKey JBHLYIVFFLNISJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 352.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 8.2 8.45 8.7 Guide to Pharmacology
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 8.03 8.03 8.03 ChEMBL
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 8.03 8.22 8.41 ChEMBL
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 PDSP Ki database
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 8.7 8.7 8.7 PDSP Ki database
α1B ADA1B Rat Adrenoceptors A pKi 5.9 5.9 5.9 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.1 6.1 6.1 PDSP Ki database
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 5.3 5.3 5.3 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 PDSP Ki database
α2B ADA2B Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
α2A ADA2A Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 5.2 5.2 5.2 PDSP Ki database
β1 ADRB1 Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D1 A0A286XI85 Guinea pig Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
α1D ADA1D Rat Adrenoceptors A pKi 6.7 6.7 6.7 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pEC50 8.06 8.06 8.06 ChEMBL
5-HT4 5HT4R Human 5-Hydroxytryptamine A pEC50 8.4 8.6 8.7 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.5 4.5 4.5 ChEMBL