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quecitinib   Click here for help

GtoPdb Ligand ID: 14064

Synonyms: QY-201 | QY201 | VVN-461 | VVN461
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Quecitinib is the INN for a Janus kinase inhibitor with anti-inflammatory potential (INN proposed list 133, 10th July 2025). We have mapped this to the disclosed structure of clinical lead QY201, which is declared as an orally administered dual JAK1/TYK2 inhibitor [1]. The structure also matches the compound named VVN461 in patent WO2024221524A1 [2].
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 2
Rotatable bonds 3
Topological polar surface area 87.25
Molecular weight 324.38
XLogP -0.44
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 C[C@H](C1=NC2=CN=C3C(=C2N1N4CCC(CC#N)CC4)C=CN3)O
Isomeric SMILES O[C@H](C)C1=NC=2C(=C3C(=NC2)NC=C3)N1N4CCC(CC4)CC#N
InChI InChI=1S/C17H20N6O/c1-11(24)17-21-14-10-20-16-13(3-7-19-16)15(14)23(17)22-8-4-12(2-6-18)5-9-22/h3,7,10-12,24H,2,4-5,8-9H2,1H3,(H,19,20)/t11-/m1/s1
InChI Key LUQHXRXPKKQUKV-LLVKDONJSA-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
QY201 has advanced to clinical trial, with initial investigations designed to determine safety and efficacy as an anti-inflammatory agent for the treatment of atopic dermatitis [1]. As VVN461 opthalmic solution this compound is being trialled as an option to reduce inflammation in non-Infectious anterior uveitis and post-operative inflammation following cataract surgery.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT05525715 A Study of QY201 Tablet in Subjects With Moderate to Severe Atopic Dermatitis Phase 1/Phase 2 Interventional E-nitiate Biopharmaceuticals (Hangzhou) Co., Ltd.
NCT06679153 A Phase 2 Study of VVN461 Ophthalmic Solution for Noninfectious Anterior Uveitis Phase 2 Interventional VivaVision Biotech, Inc
NCT06164743 Phase 2: VVN461 Ophthalmic Solution for Post -Operative Ocular Inflammation After Cataract Surgery Phase 2 Interventional VivaVision Biotech, Inc