RIPA-56   Click here for help

GtoPdb Ligand ID: 9643

Synonyms: compound 56 [PMID: 27992216] | compound 92 [WO2016101885]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: RIPA-56 is a highly potent, selective, and metabolically stable type III (allosteric) inhibitor of receptor-interacting protein kinase 1 (RIPK1) [2]. It is claimed as compound 92 in patent WO2016101885 [3]. RIPA-56 is a drug candidate for the treatment of systemic inflammatory response syndrome (SIRS).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 40.54
Molecular weight 221.14
XLogP 2.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCC(C(=O)N(Cc1ccccc1)O)(C)C
Isomeric SMILES CCC(C(=O)N(Cc1ccccc1)O)(C)C
InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
InChI Key AVYVHIKSFXVDBG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-benzyl-N-hydroxy-2,2-dimethylbutanamide
Synonyms Click here for help
compound 56 [PMID: 27992216] | compound 92 [WO2016101885]
Database Links Click here for help
GtoPdb PubChem SID 340590273
PubChem CID 121439991
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