intepirdine   Click here for help

GtoPdb Ligand ID: 9444

Synonyms: RVT-101 | SB-742457
Compound class: Synthetic organic
Comment: Intepirdine (RVT-101) is a 5-HT6 receptor antagonist [4] (called SB-742457 in this article). Developed by Axovant Science Ltd.
Phase 3 clinical trial results for RVT-101 are eagerly awaited given the reported failures of competitors' 5-HT6 receptor antagonists in Alzheimer's disease trials (e.g. Lundbeck's idalopirdine, and Pfizer's PF-05212377).
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Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data across species
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 70.68
Molecular weight 353.12
XLogP 2.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES O=S(=O)(c1cnc2c(c1)cccc2N1CCNCC1)c1ccccc1
Isomeric SMILES O=S(=O)(c1cnc2c(c1)cccc2N1CCNCC1)c1ccccc1
InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
InChI Key JJZFWROHYSMCMU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
International Nonproprietary Names Click here for help
INN number INN
10281 intepirdine
Synonyms Click here for help
RVT-101 | SB-742457
Database Links Click here for help
Specialist databases
GPCRdb Ligand intepirdine
Other databases
BindingDB Ligand 50318633
CAS Registry No. 607742-69-8 (source: WHO INN record)
ChEMBL Ligand CHEMBL1083390
GtoPdb PubChem SID 329968384
PubChem CID 11256720
Search Google for chemical match using the InChIKey JJZFWROHYSMCMU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JJZFWROHYSMCMU
Search PubMed clinical trials intepirdine
Search PubMed titles intepirdine
Search PubMed titles/abstracts intepirdine
UniChem Compound Search for chemical match using the InChIKey JJZFWROHYSMCMU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JJZFWROHYSMCMU-UHFFFAOYSA-N