CX614   Click here for help

GtoPdb Ligand ID: 7842

Synonyms: BDP 37 | CX 614 | CX-614
Compound class: Synthetic organic
Comment: CX614 is a positive allosteric modulator of the AMPA receptor [1] with respect to AMPA.

CX614 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 Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/). 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 0
Rotatable bonds 0
Topological polar surface area 48
Molecular weight 247.08
XLogP 1.31
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES O=C1N2CCCC2Oc2c1cc1OCCOc1c2
Isomeric SMILES O=C1N2CCCC2Oc2c1cc1OCCOc1c2
InChI InChI=1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2
InChI Key RQEPVMAYUINZRE-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
BDP 37 | CX 614 | CX-614
Database Links Click here for help
CAS Registry No. 191744-13-5
ChEMBL Ligand CHEMBL599662
GtoPdb PubChem SID 223366172
PubChem CID 6451148
Search Google for chemical match using the InChIKey RQEPVMAYUINZRE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RQEPVMAYUINZRE
UniChem Compound Search for chemical match using the InChIKey RQEPVMAYUINZRE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RQEPVMAYUINZRE-UHFFFAOYSA-N
Wikipedia CX614

Product suppliers

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MedChemExpress
CX614 (links to external site)
Cat. No. HY-110175