General Information of the Compound
Compound ID
CP0036044
Compound Name
(+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
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Synonyms
EX-527
SEN-0014196
SEN-196
SIRT1 inhibitors (Huntingtons disease), Elixir/Siena
Sirtuin-1 inhibitors (oral, Huntington's disease), Elixir/Siena
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Structure
Formula
C13H13ClN2O
Molecular Weight
248.713
Canonical SMILES
NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
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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)
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InChIKey
FUZYTVDVLBBXDL-UHFFFAOYSA-N
Physicochemical Property
logP
2.7265
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
58.88
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 5113032
SID: 12015946
ChEMBL ID
CHEMBL420311
DrugBank ID
DB13978
Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SEN-196 )
Drug Name SEN-196
Company Elixir Pharmaceuticals Inc
Indication
Huntington disease
Phase 2
Target(s)
NAD-dependent deacetylase sirtuin-1 (SIRT1)
Inhibitor