LNP023   Click here for help

GtoPdb Ligand ID: 10710

Synonyms: compound 41 [PMID: 32073845] | LNP-023
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: LNP023 is a small molecuile, orally bioavailable complement factor B inhibitor [1-2]. Factor B is a serine protease, that is a component of the alternative pathway (AP) of the complement system. The AP acts as an amplification loop of complement activation and contributes to various human diseases. Inhibition of factor B is being expolited as a mechanism to treat complement-mediated conditions such as C3 glomerulopathy (glomerulonephritis, including IgA nephropathy), paroxysmal nocturnal hemoglobinuria and atypical hemolytic uremic syndrome.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 74.79
Molecular weight 422.22
XLogP 4.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCO[C@H]1CCN([C@@H](C1)c1ccc(cc1)C(=O)O)Cc1c(OC)cc(c2c1cc[nH]2)C
Isomeric SMILES CCO[C@H]1CCN([C@@H](C1)c1ccc(cc1)C(=O)O)Cc1c(OC)cc(c2c1cc[nH]2)C
InChI InChI=1S/C25H30N2O4/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t19-,22-/m0/s1
InChI Key RENRQMCACQEWFC-UGKGYDQZSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
Synonyms Click here for help
compound 41 [PMID: 32073845] | LNP-023
Database Links Click here for help
BindingDB Ligand 160475
GtoPdb PubChem SID 404859157
PubChem CID 90467622
RCSB PDB Ligand JGQ
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