Selisistat
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Selisistat
- DrugBank Accession Number
- DB13978
- Background
Selective inhibitor of SIRT1 that does not inhibit histone deacetylase (HDAC) or other sirtuin deacetylase family members (IC50 values are 98, 19600, 48700, > 100000 and > 100000 nM for SIRT1, SIRT2, SIRT3, HDAC and NADase respectively). Enhances p53 acetylation in response to DNA damaging agents.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 248.71
Monoisotopic: 248.0716407 - Chemical Formula
- C13H13ClN2O
- Synonyms
- rac-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
- Selisistat
- External IDs
- EX 527
- EX-527
- EX527
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UNAD-dependent protein deacetylase sirtuin-1 inhibitorHumans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- L19ECD5014
- CAS number
- 49843-98-3
- InChI Key
- FUZYTVDVLBBXDL-UHFFFAOYSA-N
- 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)
- IUPAC Name
- 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
- SMILES
- NC(=O)C1CCCC2=C1NC1=C2C=C(Cl)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 4288080
- BindingDB
- 50178769
- ChEBI
- 90369
- ChEMBL
- CHEMBL420311
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Withdrawn Treatment Endometrial Diseases / Endometriosis / Infertility; Female, Nonimplantation / Unexplained Infertility / Uterine Diseases 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.041 mg/mL ALOGPS logP 2.76 ALOGPS logP 2.46 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 15.73 Chemaxon pKa (Strongest Basic) -2.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 58.88 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 67.37 m3·mol-1 Chemaxon Polarizability 26.06 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-000t-0090000000-c34a65a99fa5fd8f0528 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-1090000000-1a607c13a21358539cbe Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000t-0090000000-f1156ba01550b0c86067 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000w-9050000000-d8421c26109c1e1ef017 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-014j-0930000000-e84fff7a7d9eb11adc0a Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001l-9000000000-efaf8c9a03b2db4e9f85 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- Transcription factor binding
- Specific Function
- NAD-dependent protein deacetylase that links transcriptional regulation directly to intracellular energetics and participates in the coordination of several separated cellular functions such as cel...
- Gene Name
- SIRT1
- Uniprot ID
- Q96EB6
- Uniprot Name
- NAD-dependent protein deacetylase sirtuin-1
- Molecular Weight
- 81680.06 Da
References
- Solomon JM, Pasupuleti R, Xu L, McDonagh T, Curtis R, DiStefano PS, Huber LJ: Inhibition of SIRT1 catalytic activity increases p53 acetylation but does not alter cell survival following DNA damage. Mol Cell Biol. 2006 Jan;26(1):28-38. doi: 10.1128/MCB.26.1.28-38.2006. [Article]
Drug created at January 19, 2018 23:49 / Updated at February 21, 2021 18:54