compound 28xvii [PMID: 8809154]   Click here for help

GtoPdb Ligand ID: 8764

Compound class: Synthetic organic
Comment: compound 28xvii is reported in [1] as an inhibitor of secretory phospholopase A2 (sPLA2).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 111.1
Molecular weight 470.18
XLogP 4.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCc1c(C(=O)C(=O)N)c2n(c1Cc1ccccc1Cc1ccccc1)cccc2OCC(=O)O
Isomeric SMILES CCc1c(C(=O)C(=O)N)c2n(c1Cc1ccccc1Cc1ccccc1)cccc2OCC(=O)O
InChI InChI=1S/C28H26N2O5/c1-2-21-22(16-20-12-7-6-11-19(20)15-18-9-4-3-5-10-18)30-14-8-13-23(35-17-24(31)32)26(30)25(21)27(33)28(29)34/h3-14H,2,15-17H2,1H3,(H2,29,34)(H,31,32)
InChI Key LNIJDTKDAASOIT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[2-ethyl-1-oxamoyl-3-[[2-(phenylmethyl)phenyl]methyl]indolizin-8-yl]oxyacetic acid
Database Links Click here for help
ChEMBL Ligand CHEMBL331755
GtoPdb PubChem SID 252827422
PubChem CID 10389981
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