CHEMBL2413153


SMILES Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O
InChIKey SXCVVYUSUGUSMW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 405.2

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-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.67 5.67 5.67 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.39 6.39 6.39 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.63 6.63 6.63 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.57 7.57 7.57 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.25 7.25 7.25 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.76 6.76 6.76 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.67 7.67 7.67 ChEMBL
H2 HRH2 Human Histamine A pKi 5.75 5.75 5.75 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.2 7.2 7.2 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.76 7.76 7.76 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.56 5.56 5.56 ChEMBL
H1 HRH1 Human Histamine A pKi 6.29 6.29 6.29 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.52 6.52 6.52 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.15 7.15 7.15 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 10.0 10.0 10.0 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.66 7.66 7.66 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.43 7.43 7.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 9.19 9.19 9.19 ChEMBL