deucrictibant   Click here for help

GtoPdb Ligand ID: 12421

Synonyms: PHA-022121 | PHA-121 | PHA022121
Compound class: Synthetic organic
Comment: PHA-022121 is a deuterated analogue of the previously reported bradykinin B2 receptor antagonist compound 3 [PMID: 32636746] [2]. Its chemical structure is a match for the INN deucrictibant.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 87.88
Molecular weight 533.93
XLogP 1.9
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC1=CC(=C2C=CC=C(C2=N1)OCC3=C(C=C(C=C3[C@]([2H])(C)NC(=O)COC(F)F)F)Cl)C4=NC=NN4C
Isomeric SMILES [2H][C@](C)(C1=C(C(=CC(=C1)F)Cl)COC=2C=CC=C3C(=CC(=NC23)C)C4=NC=NN4C)NC(COC(F)F)=O
InChI InChI=1S/C25H23ClF3N5O3/c1-13-7-18(24-30-12-31-34(24)3)16-5-4-6-21(23(16)32-13)36-10-19-17(8-15(27)9-20(19)26)14(2)33-22(35)11-37-25(28)29/h4-9,12,14,25H,10-11H2,1-3H3,(H,33,35)/t14-/m0/s1/i14D
InChI Key ZTCLCSCHTACERP-WTDRUJNCSA-N
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Summary of Clinical Use Click here for help
Deucrictibant (PHA-022121) is in clinical development for potential to treat and/or prevent hereditary angioedema attacks.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT04618211 Dose-ranging Study of Oral PHA-022121 for Acute Treatment of Angioedema Attacks in Patients With Hereditary Angioedema Phase 2 Interventional Pharvaris Netherlands B.V.
NCT05047185 Dose-ranging Study of Oral PHA-022121 for Prophylaxis Against Angioedema Attacks in Patients With Hereditary Angioedema Type I or Type II Phase 2 Interventional Pharvaris Netherlands B.V.
NCT05396105 Extension Study of Oral PHA-022121 for Acute Treatment of Angioedema Attacks in Patients With Hereditary Angioedema Phase 2/Phase 3 Interventional Pharvaris Netherlands B.V.