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

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-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.11 7.11 7.11 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.89 6.89 6.89 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.71 5.71 5.71 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.49 6.49 6.49 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.96 5.96 5.96 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.65 6.65 6.65 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.96 7.04 7.12 ChEMBL
H1 HRH1 Human Histamine A pKi 7.63 7.7 7.77 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.29 6.59 6.96 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.62 6.62 6.62 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.76 5.76 5.76 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.89 5.89 5.89 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.47 5.57 5.68 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 9.82 9.82 9.82 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.9 6.49 6.7 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.27 8.38 8.74 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.01 9.75 10.07 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.25 7.24 7.73 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.75 8.99 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
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
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.48 5.48 5.48 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.11 6.11 6.11 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.84 5.84 5.84 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.63 6.63 6.63 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.16 8.16 8.16 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Rat Dopamine A pIC50 8.8 8.8 8.8 ChEMBL
D3 DRD3 Human Dopamine A pEC50 8.24 8.48 8.72 ChEMBL
D3 DRD3 Human Dopamine A pIC50 8.7 8.7 8.7 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.95 8.75 9.74 ChEMBL
D2 DRD2 Human Dopamine A pIC50 8.77 8.77 8.78 ChEMBL
D3 DRD3 Rat Dopamine A pIC50 8.06 8.06 8.06 Drug Central
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