cariprazine   Click here for help

GtoPdb Ligand ID: 7671

Synonyms: Reagila® | RGH 188 | RGH-188 | Vraylar®
Approved drug PDB Ligand
cariprazine is an approved drug (FDA (2015), EMA (2017))
Compound class: Synthetic organic
Comment: Cariprazine is an antipsychotic. Our structure was drawn from the INN record which shows stereo-chemistry for this compound. PubChem have a record only for the non-chiral molecule, with CID 11154555. The compound is liphophilic meaning that it can easily cross the blood-brain barrier, to reach its site of action [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 38.82
Molecular weight 426.2
XLogP 4.37
No. Lipinski's rules broken 0
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Canonical SMILES O=C(N(C)C)NC1CCC(CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl
Isomeric SMILES O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl
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-
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2015), EMA (2017))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8920 cariprazine
Synonyms Click here for help
Reagila® | RGH 188 | RGH-188 | Vraylar®
Database Links Click here for help
Specialist databases
GPCRdb Ligand cariprazine
Other databases
CAS Registry No. 839712-12-8
ChEMBL Ligand CHEMBL2028019
DrugCentral Ligand 5037
GtoPdb PubChem SID 223366006
PubChem CID 11154555
Search Google for chemical match using the InChIKey KPWSJANDNDDRMB-QAQDUYKDSA-N
Search Google for chemicals with the same backbone KPWSJANDNDDRMB
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UniChem Compound Search for chemical match using the InChIKey KPWSJANDNDDRMB-QAQDUYKDSA-N
UniChem Connectivity Search for chemical match using the InChIKey KPWSJANDNDDRMB-QAQDUYKDSA-N
Wikipedia Cariprazine