brexpiprazole


SMILES O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2
InChIKey ZKIAIYBUSXZPLP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 433.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pKi 9.52 9.52 9.52 Guide to Pharmacology
D2 DRD2 Rat Dopamine A pKi 8.42 9.06 9.7 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 10.05 10.05 10.05 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.92 9.92 9.92 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.33 9.33 9.33 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.29 9.4 9.52 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.13 8.13 8.13 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.03 8.03 8.03 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.06 8.06 8.06 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.13 8.13 8.13 Drug Central
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.07 8.07 8.07 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.01 8.01 8.01 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.07 8.07 8.07 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.11 8.11 8.11 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.11 8.11 8.11 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.03 8.03 8.03 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
D1 DRD1 Human Dopamine A pKi 8.17 8.17 8.17 Drug Central
D2 DRD2 Human Dopamine A pKi 8.02 8.02 8.02 Drug Central
D3 DRD3 Human Dopamine A pKi 8.05 8.05 8.05 Drug Central
D4 DRD4 Human Dopamine A pKi 8.09 8.09 8.09 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 9.4 9.4 9.4 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.43 8.43 8.43 ChEMBL
H1 HRH1 Human Histamine A pKi 8.11 8.11 8.11 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 Drug Central
D2 DRD2 Rat Dopamine A pKi 8.01 8.01 8.01 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 7.79 7.95 8.2 ChEMBL