CHEMBL81728


SMILES O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1
InChIKey GTEYGWXMYSXCRZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 385.2

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
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.6 7.6 7.6 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.4 7.4 7.4 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.34 7.34 7.34 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.4 8.4 8.4 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.85 7.85 7.85 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 9.52 9.52 9.53 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 10.0 10.0 10.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 9.02 9.07 9.11 ChEMBL