cariprazine


SMILES O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl
InChIKey KPWSJANDNDDRMB-QAQDUYKDSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 426.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7VOD
Ligand site mutations 5-HT2A D2

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pKi 8.24 8.24 8.24 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 10.05 10.05 10.05 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 5.1 5.1 5.1 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.96 6.96 6.96 ChEMBL
H1 HRH1 Human Histamine A pKi 7.63 7.63 7.63 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.29 6.63 6.96 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.47 5.57 5.68 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.7 6.7 6.7 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.57 9.84 10.07 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.66 7.39 7.73 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.4 8.5 8.59 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.99 8.9 9.39 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.11 8.11 8.11 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.03 8.03 8.03 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.18 8.18 8.18 Drug Central
D1 DRD1 Human Dopamine A pKi 8.25 8.25 8.25 Drug Central
D2 DRD2 Human Dopamine A pKi 8.03 8.03 8.03 Drug Central
D3 DRD3 Human Dopamine A pKi 8.0 8.0 8.0 Drug Central
D4 DRD4 Human Dopamine A pKi 8.16 8.16 8.16 Drug Central
D5 DRD5 Human Dopamine A pKi 8.29 8.29 8.29 Drug Central
H1 HRH1 Human Histamine A pKi 8.12 8.12 8.12 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 8.24 8.24 8.24 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.95 8.59 9.74 ChEMBL
D2 DRD2 Human Dopamine A pIC50 8.77 8.77 8.78 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 8.11 8.11 8.11 Drug Central
D2 DRD2 Rat Dopamine A pIC50 7.8 7.8 7.8 ChEMBL