CHEMBL139505


SMILES COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12
InChIKey XTICRBGKPDRHCR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 361.2

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
α1B ADA1B Human Adrenoceptors A pKi 8.38 8.38 8.38 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.9 7.9 7.9 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.35 6.35 6.35 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.79 8.79 8.79 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 9.42 9.42 9.42 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.52 8.97 9.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 8.9 8.9 8.9 ChEMBL