orludodstat   Click here for help

GtoPdb Ligand ID: 11897

Synonyms: BAY-2402234 | BAY2402234
PDB Ligand
Compound class: Synthetic organic
Comment: Orludodstat (BAY-2402234) is an orally bioavailable dihydroorotate dehydrogenase (DHODH) inhibitor [1]. DHODH is important for de novo pyrimidine synthesis, and is a molecular target for treatment of myeloid malignancies [2-3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 97.86
Molecular weight 520.09
XLogP 4.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCn1c(CO)nn(c1=O)c1cc(O[C@H](C(F)(F)F)C)c(cc1F)C(=O)Nc1c(F)cccc1Cl
Isomeric SMILES CCn1c(nn(c1=O)c1c(cc(c(c1)O[C@@H](C)C(F)(F)F)C(=O)Nc1c(cccc1Cl)F)F)CO
InChI InChI=1S/C21H18ClF5N4O4/c1-3-30-17(9-32)29-31(20(30)34)15-8-16(35-10(2)21(25,26)27)11(7-14(15)24)19(33)28-18-12(22)5-4-6-13(18)23/h4-8,10,32H,3,9H2,1-2H3,(H,28,33)/t10-/m0/s1
InChI Key KNVJMHHAXCPZHF-JTQLQIEISA-N
No information available.
Summary of Clinical Use Click here for help
BAY-2402234 was advanced to cinical evaluation in patients with AML, but the study was terminated as the treatment failed to provide adequate clinical benefit.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT03404726 A Study to Investigate BAY2402234, a Dihydroorotate Dehydrogenase (DHODH) Inhibitor, in Myeloid Malignancies Phase 1 Interventional Bayer
NCT05061251 Surgical Window of Opportunity Study of Orally Administered BAY 2402234 in Recurrent Glioma Early Phase 1 Interventional University of Texas Southwestern Medical Center