asengeprast   Click here for help

GtoPdb Ligand ID: 13202

Synonyms: example 27 [WO2018144620] | FT-011 | FT011 | SHP-627
Compound class: Synthetic organic
Comment: Asengeprast is the INN for a G protein-coupled receptor 68 (GPR68) antagonist with anti-inflammatory potential. We obtained the chemical structure and proposed mechanism of action from INN proposed list 130 (released Feb. 2024). This structure matched to clinical lead FT001 via PubChem, which has proposed anti-inflammatory and anti-fibrotic actions that may be of benefit across a range of human diseases [1-3,6]. Asengeprast's structure was claimed in patent WO2018144620 in 2019 [4].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 84.86
Molecular weight 351.35
XLogP 1.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C#CCOC1=CC=C(/C=C/C(=O)NC2=C(C=CC=C2)C(=O)O)C=C1OC
Isomeric SMILES COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OCC#C
InChI InChI=1S/C20H17NO5/c1-3-12-26-17-10-8-14(13-18(17)25-2)9-11-19(22)21-16-7-5-4-6-15(16)20(23)24/h1,4-11,13H,12H2,2H3,(H,21,22)(H,23,24)/b11-9+
InChI Key UIWZIDIJCUEOMT-PKNBQFBNSA-N
No information available.
Summary of Clinical Use Click here for help
FT001 was progressed as a potential therpeutic for autoimmune systemic sclerosis by Certa Therapeutics.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT04647890 Effects of FT011 in Systemic Sclerosis Phase 2 Interventional Certa Therapeutics