cariprazine   Click here for help

GtoPdb Ligand ID: 7671

Synonyms: Reagila® | RGH 188 | RGH-188 | Vraylar®
Approved drug
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
SMILES / InChI / InChIKey
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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-
InChI Key KPWSJANDNDDRMB-QAQDUYKDSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2015), EMA (2017))
IUPAC Name Click here for help
3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
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
CAS Registry No. 839712-12-8
ChEMBL Ligand CHEMBL2028019
DrugCentral Ligand 5037
GtoPdb PubChem SID 223366006
PubChem CID 11154555
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Wikipedia Cariprazine