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
SMILES / InChI / InChIKey
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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)
InChI Key FUZYTVDVLBBXDL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
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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Tocris
EX 527
Cat. No. 2780