SRT1720   Click here for help

GtoPdb Ligand ID: 7703

PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: SRT1720 is a selective SIRT1 activator. SRT1720 binds to the SIRT1 enzyme–peptide substrate complex at an allosteric site amino-terminal to the catalytic domain [2]. In vivo studies show that SIRT1 activation has the potential to improve insulin sensitivity in animal models of obesity, and improve glucose homeostasis [2]. This indicates the potential of such compounds as treatment for type II diabetes.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 115.69
Molecular weight 469.17
XLogP 2.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1cnc2c(n1)cccc2)Nc1ccccc1c1cn2c(n1)scc2CN1CCNCC1
Isomeric SMILES O=C(c1cnc2c(n1)cccc2)Nc1ccccc1c1cn2c(n1)scc2CN1CCNCC1
InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)
InChI Key IASPBORHOMBZMY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide
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CAS Registry No. 925434-55-5
ChEMBL Ligand CHEMBL257991
GtoPdb PubChem SID 223366036
PubChem CID 24180125
RCSB PDB Ligand SR7
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Wikipedia SRT1720