TEPP-46   Click here for help

GtoPdb Ligand ID: 10555

Synonyms: compound 46 [PMID: 20451379] | ML-265 | ML265 | TEPP46
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: TEPP-46 is an activator of tumour-associated pyruvate kinase M2 (PKM2) [1,4-5]. It promotes formation of the highly active PKM2 tetramer, and reduces cancer cell proliferation by interfering with anabolic metabolism. It is active in a mouse xenograft model [4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 130.36
Molecular weight 372.07
XLogP 0.85
No. Lipinski's rules broken 0
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Canonical SMILES Nc1cccc(c1)Cn1ncc2c(c1=O)n(C)c1c2sc(c1)S(=O)C
Isomeric SMILES Nc1cccc(c1)Cn1ncc2c(c1=O)n(C)c1c2sc(c1)S(=O)C
InChI InChI=1S/C17H16N4O2S2/c1-20-13-7-14(25(2)23)24-16(13)12-8-19-21(17(22)15(12)20)9-10-4-3-5-11(18)6-10/h3-8H,9,18H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
compound 46 [PMID: 20451379] | ML-265 | ML265 | TEPP46
Database Links Click here for help
CAS Registry No. 1221186-53-3 (source: PubChem)
ChEMBL Ligand CHEMBL1085588
GtoPdb PubChem SID 404859003
PubChem CID 44246499
Search Google for chemical match using the InChIKey ZWKJWVSEDISQIS-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey ZWKJWVSEDISQIS-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZWKJWVSEDISQIS-UHFFFAOYSA-N