CHEMBL210578


SMILES O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1
InChIKey CXQUOFVDYCOSEZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 401.2

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
D4 DRD4 Rat Dopamine A pKi 7.92 7.92 7.92 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.06 6.06 6.06 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.29 6.29 6.29 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.84 6.84 6.84 ChEMBL
H1 HRH1 Human Histamine A pKi 5.06 5.06 5.06 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.92 8.14 8.28 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.41 7.41 7.41 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.55 5.55 5.55 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.06 6.06 6.06 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.29 8.72 9.15 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.51 7.51 7.51 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.56 7.56 7.56 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.8 9.15 9.51 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.06 6.06 6.06 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.8 8.8 8.8 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 8.28 8.28 8.28 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.56 7.56 7.56 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.51 7.51 7.51 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.06 5.06 5.06 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 7.37 7.37 7.37 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.29 8.29 8.29 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database