IPL344   Click here for help

GtoPdb Ligand ID: 13268

Synonyms: IPL-344
Compound class: Peptide or derivative
Comment: IPL344 is a lead candidate for the treatment of ALS. It is a heptapeptide that acts to reactivate the PI3K-Akt pathway that is impaired in ALS motor neurons and muscles. IPL344 is administered intravenously. An oral Akt activator for ALS (IPL699) is included in Immunity Pharma's preclinical development pipeline.
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N5CCC[C@H]5C(=O)O)N
Isomeric SMILES CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N5CCC[C@H]5C(=O)O)N
InChI InChI=1S/C41H61N7O9/c1-24(2)21-28(42)37(52)47-19-7-11-33(47)40(55)46-18-6-10-32(46)36(51)43-29(22-25(3)4)38(53)45-17-5-9-31(45)35(50)44-30(23-26-13-15-27(49)16-14-26)39(54)48-20-8-12-34(48)41(56)57/h13-16,24-25,28-34,49H,5-12,17-23,42H2,1-4H3,(H,43,51)(H,44,50)(H,56,57)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
InChI Key AGUSSGJBWOOHRG-NXBWRCJVSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
Synonyms Click here for help
IPL-344
Database Links Click here for help
CAS Registry No. 877120-59-7 (source: PubChem)
GtoPdb PubChem SID 491300050
PubChem CID 11650748
Search Google for chemical match using the InChIKey AGUSSGJBWOOHRG-NXBWRCJVSA-N
Search Google for chemicals with the same backbone AGUSSGJBWOOHRG
UniChem Compound Search for chemical match using the InChIKey AGUSSGJBWOOHRG-NXBWRCJVSA-N
UniChem Connectivity Search for chemical match using the InChIKey AGUSSGJBWOOHRG-NXBWRCJVSA-N