envudeucitinib   Click here for help

GtoPdb Ligand ID: 13205

Compound class: Synthetic organic
Comment: The chemical structure for envudeucitinib was obtained from proposed INN list 130 (Feb. 2024), in which the compound is described as a Janus kinase inhibitor with anti-inflammatory potential.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 107.75
Molecular weight 420.47
XLogP 1.02
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C([2H])([2H])([2H])CC(=O)C1=C(C=C(N=C1)NC(=O)C2CC2)NC3=C(C(=CC=C3)C4=NN(C([2H])([2H])[2H])C=N4)OC
Isomeric SMILES [2H]C([2H])([2H])CC(=O)C1=CN=C(NC(=O)C2CC2)C=C1NC3=CC=CC(C4=NN(C=N4)C([2H])([2H])[2H])=C3OC
InChI InChI=1S/C22H24N6O3/c1-4-18(29)15-11-23-19(26-22(30)13-8-9-13)10-17(15)25-16-7-5-6-14(20(16)31-3)21-24-12-28(2)27-21/h5-7,10-13H,4,8-9H2,1-3H3,(H2,23,25,26,30)/i1D3,2D3
InChI Key FKCATCQHVCOBCX-WFGJKAKNSA-N
Bioactivity Comments
We have been unable fo find any open source information in support of envudeucitinib's proposed mechanism of action or primary molecular target(s).