CHEMBL2431120


SMILES COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC
InChIKey SWEOAXMICIJCQC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 420.2

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-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.03 6.03 6.03 ChEMBL
H1 HRH1 Human Histamine A pKi 5.85 5.85 5.85 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 ChEMBL
μ OPRM Human Opioid A pKi 5.81 5.81 5.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS1 NTR1 Human Neurotensin A pEC50 5.47 5.6 5.7 ChEMBL