selisistat   Click here for help

GtoPdb Ligand ID: 8100

Synonyms: EX 527 | EX-527 | EX527 | SEN0014196
Compound class: Synthetic organic
Comment: Selisistat is a selective inhibitor of sirtuin 1 (SIRT1) catalytic activity [2-3]. SIRT1 is an enzyme which deacetylates the p53 tumor suppressor protein and may modulate p53-dependent functions such as DNA damage-induced cell death.
The SIRT histone deacetylases have been implicated in a wide range of cellular processes including stress resistance, metabolism, differentiation, and aging [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 58.88
Molecular weight 248.07
XLogP 2.73
No. Lipinski's rules broken 0
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Canonical SMILES NC(=O)C1CCCc2c1[nH]c1c2cc(cc1)Cl
Isomeric SMILES NC(=O)C1CCCc2c1[nH]c1c2cc(cc1)Cl
InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9502 selisistat
Synonyms Click here for help
EX 527 | EX-527 | EX527 | SEN0014196
Database Links Click here for help
CAS Registry No. 49843-98-3
ChEMBL Ligand CHEMBL420311
GtoPdb PubChem SID 249565780
PubChem CID 5113032
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UniChem Compound Search for chemical match using the InChIKey FUZYTVDVLBBXDL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FUZYTVDVLBBXDL-UHFFFAOYSA-N

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EX 527
Cat. No. 2780