iloperidone   Click here for help

GtoPdb Ligand ID: 87

Synonyms: Fanapt® | HP-873
Approved drug
iloperidone is an approved drug (FDA (2009))
Compound class: Synthetic organic
Comment: Iloperidone is an atypical antipsychotic drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 64.8
Molecular weight 426.2
XLogP 4.11
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C
Isomeric SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C
InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2009))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7045 iloperidone
Synonyms Click here for help
Fanapt® | HP-873
Database Links Click here for help
Specialist databases
GPCRdb Ligand iloperidone
Other databases
BindingDB Ligand 50034043
CAS Registry No. 133454-47-4 (source: Scifinder)
ChEMBL Ligand CHEMBL14376
DrugBank Ligand DB04946
DrugCentral Ligand 3294
GtoPdb PubChem SID 135650377
PubChem CID 71360
Search Google for chemical match using the InChIKey XMXHEBAFVSFQEX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XMXHEBAFVSFQEX
Search PubMed clinical trials iloperidone
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UniChem Compound Search for chemical match using the InChIKey XMXHEBAFVSFQEX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey XMXHEBAFVSFQEX-UHFFFAOYSA-N
Wikipedia Iloperidone