CHEMBL4169689


SMILES CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1
InChIKey HLXXHUQBOMNXCU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 451.2

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 5.78 5.78 5.78 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.61 5.61 5.61 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.45 5.45 5.45 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.59 5.59 5.59 ChEMBL
H2 HRH2 Human Histamine A pKi 6.29 6.29 6.29 ChEMBL
H1 HRH1 Human Histamine A pKi 7.21 7.21 7.21 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.04 6.04 6.04 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.32 6.32 6.32 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.47 6.47 6.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database