Molecule Details
InChIKeyRNRYULFRLCBRQS-UHFFFAOYSA-N
Compound Name2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
Canonical SMILESO=C(CN1CCC(CN2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.11
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB13080
Drug NameRoluperidone
CAS Number359625-79-9
Groups investigational
ATC Codes nan
DescriptionRoluperidone has been used in trials studying the treatment of Schizophrenia.

Categories: Antidepressive Agents Central Nervous System Depressants Heterocyclic Compounds, Fused-Ring Serotonin 5-HT2 Receptor Antagonists Serotonin 5-HT2A Receptor Antagonists Serotonin Agents Serotonin Receptor Antagonists
Cross-references: ChemSpider: 7975049 PDB: YT7 PubChem:9799284 PubChem:347829206 Wikipedia: Roluperidone
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P08908 HTR1A Homo sapiens Human PF00001 8.1 Ki ChEMBL;BindingDB
P28223 HTR2A Homo sapiens Human PF00001 8.1 Ki ChEMBL
Q5BJF2 TMEM97 Homo sapiens Human PF05241 8.1 Ki ChEMBL;BindingDB
DrugBank Target Actions (2)
Target Gene Target Name Action Type
P28223 HTR2A 5-hydroxytryptamine receptor 2A antagonist targets
Q5BJF2 TMEM97 Sigma intracellular receptor 2 antagonist targets