(R)-DFV890   Click here for help

GtoPdb Ligand ID: 13782

Synonyms: compound (R)-1 [PMID: 40036600] | DFV-890 | IFM-2427 | IFM2427
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: The discovery of (R)-DFV890 is reported in [3]. It is an NLRP3 inflammasome inhibitor that is intended for anti-inflammatory action.
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 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 150.82
Molecular weight 420.55
XLogP 0.45
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 CC(C)(C1=NC=C(S1)[S@@](=NC(=O)NC2=C3CCCC3=CC4=C2CCC4)(=O)N)O
Isomeric SMILES CC(C)(O)C1=NC=C([S@](N)(=O)=NC(=O)NC2=C3CCCC3=CC4=C2CCC4)S1
InChI InChI=1S/C19H24N4O3S2/c1-19(2,25)17-21-10-15(27-17)28(20,26)23-18(24)22-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16/h9-10,25H,3-8H2,1-2H3,(H3,20,22,23,24,26)/t28-/m1/s1
InChI Key LHVWNNYPUDZLSH-MUUNZHRXSA-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/)
No information available.
Summary of Clinical Use Click here for help
DFV890 is a clinical candidate for the treatment of chronic inflammatory diseases. Safety, tolerability, and pharmacokinetics of DFV890 from a first-in-human clinical study were published in 2024 [1].
SARS-CoV-2-associated acute respiratory distress syndrome: In a phase 2a clinical trial, DFV890 failed to show statistically significant superiority compared to standard-of-care in eligible hospitalised COVID-19 patients [2].
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT04868968 Study of Safety, Tolerability and Efficacy of DFV890 in Participants With Familial Cold Auto-inflammatory Syndrome (FCAS) Phase 2 Interventional Novartis
NCT04886258 Study of Efficacy, Safety and Tolerability of DFV890 in Patients With Knee Osteoarthritis Phase 2 Interventional Novartis
NCT06031844 A Study to Investigate the Efficacy, Safety, and Tolerability of DFV890 for Inflammatory Marker Reduction in Adult Participants With Coronary Heart Disease and Elevated hsCRP Phase 2 Interventional Novartis
NCT04382053 Study of Efficacy and Safety of DV890 in Patients With COVID-19 Pneumonia Phase 2 Interventional Novartis 2