CARIPRAZINE

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Synonyms
Status
Molecule Category Free-form
ATC N05AX15
UNII F6RJL8B278

Structure

InChI Key KPWSJANDNDDRMB-QAQDUYKDSA-N
Smiles CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1
InChI
InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H32Cl2N4O
Molecular Weight 427.42
AlogP 4.34
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 38.82
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 155 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
0.4-112.2 1.66-1.7 - 0.085-507 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 23.2 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 2.6-219.4 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.4-112.2 1.66-1.7 - 0.085-507 -
Rattus norvegicus
- - - 155 -
Sus scrofa
3.09-3.1 - - 0.49-70 -

Cross References

Resources Reference
ChEBI 90933
ChEMBL CHEMBL2028019
DrugBank DB06016
DrugCentral 5037
FDA SRS F6RJL8B278
Guide to Pharmacology 7671
PubChem 11154555
SureChEMBL SCHEMBL184342
ZINC ZINC000100907004
CONTENTS