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voderdeucitinib   Click here for help

GtoPdb Ligand ID: 14066

Synonyms: compound 51 [WO2022175752]
Compound class: Synthetic organic
Comment: Voderdeucitinib is the INN for a (deuterated) Janus kinase inhibitor with anti-inflammatory potential (included in WHO INN proposed list 133, 10th July 2025). The chemical structure is claimed in patent WO2022175752 as a TYK2 inhibitor (TYK2 is a member of the Janus kinases family) [1]. The compound targets the TYK2 pseudokinase (JH2) domain, so is an allosteric inhibitor. The developer is SUDO biosciences who specialise in TYK2 inhibitor development, with 4 declared programmes in their pipeline, including two named inhibitors SUDO-550 (brain-penetrant, for neuroinflammatory diseases; phase 1) and SUDO-286 (topical, for immune-mediated dermatologic diseases; phase 1).
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 9
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 101.43
Molecular weight 431.49
XLogP 0.8
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([2H])([2H])([2H])NC(=O)C1=C(C=C(N=C1)NC(=O)C2CC2)NC3=C4C(=CC=C3)C5=NN(C)C=C5CN4C
Isomeric SMILES [2H]C([2H])([2H])NC(=O)C1=CN=C(C=C1NC2=CC=CC3=C2N(CC4=CN(N=C43)C)C)NC(=O)C5CC5
InChI InChI=1S/C23H25N7O2/c1-24-23(32)16-10-25-19(27-22(31)13-7-8-13)9-18(16)26-17-6-4-5-15-20-14(12-30(3)28-20)11-29(2)21(15)17/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,24,32)(H2,25,26,27,31)/i1D3
InChI Key MQTVKOFFRJQEQS-FIBGUPNXSA-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/)
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel