RG-1530   Click here for help

GtoPdb Ligand ID: 10361

Synonyms: compound 2 [PMID: 24900658] | R-1530 | R1530 | RG1530
Compound class: Synthetic organic
Comment: RG-1530 is an orally active multikinase inhibitor, with a high affinity for polo like kinase 4 (PLK4). Its PLK4 inhibitory action was expoited for antiproliferative potential [1-4]. PLK4 is expressed at very low levels in normal cells, but its expression can be upregulated in cancer cells where it localises to the centriole and is essential for controlling centriole duplication and mitotic progression. This makes PLK4 an ideal target for disrupting mitosis in cancer cells.
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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

RG-1530 is commercially available from our sponsors

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 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 66.59
Molecular weight 356.08
XLogP 5.83
No. Lipinski's rules broken 1
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 COc1cc2[nH]c3n[nH]c(c3nc(c2cc1F)c1ccccc1Cl)C
Isomeric SMILES COc1cc2[nH]c3n[nH]c(c3nc(c2cc1F)c1ccccc1Cl)C
InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)
InChI Key UOVCGJXDGOGOCZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
Synonyms Click here for help
compound 2 [PMID: 24900658] | R-1530 | R1530 | RG1530
Database Links Click here for help
BindingDB Ligand 50426474
ChEMBL Ligand CHEMBL1980391
GtoPdb PubChem SID 384403641
PubChem CID 135398512
Search Google for chemical match using the InChIKey UOVCGJXDGOGOCZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UOVCGJXDGOGOCZ
UniChem Compound Search for chemical match using the InChIKey UOVCGJXDGOGOCZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UOVCGJXDGOGOCZ-UHFFFAOYSA-N

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Tocris
R 1530 (links to external site)
Cat. No. 4885