CHEMBL150161


SMILES O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1
InChIKey BETHXCLHMRGYBW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 361.1

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 6.99 7.19 7.38 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.34 5.57 5.81 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.03 7.41 7.79 ChEMBL
H1 HRH1 Human Histamine A pKi 5.83 6.21 6.59 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.61 7.61 8.44 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.24 5.45 5.65 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.44 5.67 5.9 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.93 6.2 6.7 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.62 6.87 7.12 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.08 6.1 6.14 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.31 6.94 7.48 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.31 7.03 7.48 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.08 6.1 6.11 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.62 6.87 7.12 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.44 5.67 5.9 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 6.61 7.67 8.44 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.83 6.21 6.59 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.7 6.7 6.7 PDSP Ki database
α1A ADA1A Human Adrenoceptors A pKi 6.94 7.21 7.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database