example 42 [WO2017136727A2]   Click here for help

GtoPdb Ligand ID: 11308

Synonyms: eclitasertib (proposed INN)
Compound class: Synthetic organic
Comment: This chemical structure (as the IUPAC name) was obtained from the special release of proposed INNs for COVID-related therapeutics that was published by the WHO in October 2020. The INN structure was identified as being identical to example 42 from Denali Therapeutics' patent WO2017136727A2. Denali claim this compound as a kinase inhibitor, the INN application refers to it as a RIP kinase inhibitor. Based on Denali's initiation of their RIPK1 inhibitor DNL758 (a.k.a. SAR443122) in clinical trial in COVID-19 patients, we speculate that example 42, DNL758/SAR443122 and eclitasertib are one and the same. We will update this record when name>structure is formally disclosed.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 113.1
Molecular weight 378.14
XLogP 2.45
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1[C@H](COc2c(N1C)nccc2)NC(=O)c1n[nH]c(n1)Cc1ccccc1
Isomeric SMILES O=C1[C@H](COc2c(N1C)nccc2)NC(=O)c1n[nH]c(n1)Cc1ccccc1
InChI InChI=1S/C19H18N6O3/c1-25-17-14(8-5-9-20-17)28-11-13(19(25)27)21-18(26)16-22-15(23-24-16)10-12-6-3-2-4-7-12/h2-9,13H,10-11H2,1H3,(H,21,26)(H,22,23,24)/t13-/m0/s1
InChI Key XUZICJHIIJCKQQ-ZDUSSCGKSA-N
No information available.
Summary of Clinical Use Click here for help
DNL758 is a clinical lead that was developed for peripheral inflammatory diseases. It is being evaluated in patients with severe COVID-19, where it is hoped that this therapy will reduce the damaging hyper-inflammatory state in these patients..
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT04469621 A Phase 1b Trial to Evaluate Safety and Effect of SAR443122 on Immune System in Severe COVID-19 Phase 1 Interventional Sanofi