Etavopivat
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Identification
- Generic Name
- Etavopivat
- DrugBank Accession Number
- DB18176
- Background
Etavopivat is a small molecule activator of erythrocyte pyruvate kinase (PKR) under investigation for the treatment of sickle cell disease.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 457.5
Monoisotopic: 457.130756647 - Chemical Formula
- C22H23N3O6S
- Synonyms
- 1-propanone, 1-(5-((2,3-dihydro-1,4-dioxino(2,3-b)pyridin-7-yl)sulfonyl)-3,4,5,6-tetrahydropyrrolo(3,4-c)pyrrol-2(1h)-yl)-3-hydroxy-2-phenyl-, (2s)-
- External IDs
- FT-4202
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- 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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- V4E0A9M44Q
- CAS number
- 2245053-57-8
- InChI Key
- KZFFYEPYCVDOGE-LJQANCHMSA-N
- InChI
- InChI=1S/C22H23N3O6S/c26-14-19(15-4-2-1-3-5-15)22(27)24-10-16-12-25(13-17(16)11-24)32(28,29)18-8-20-21(23-9-18)31-7-6-30-20/h1-5,8-9,19,26H,6-7,10-14H2/t19-/m1/s1
- IUPAC Name
- (2S)-1-(5-{2H,3H-[1,4]dioxino[2,3-b]pyridine-7-sulfonyl}-1H,2H,3H,4H,5H,6H-pyrrolo[3,4-c]pyrrol-2-yl)-3-hydroxy-2-phenylpropan-1-one
- SMILES
- OC[C@@H](C(=O)N1CC2=C(C1)CN(C2)S(=O)(=O)C1=CN=C2OCCOC2=C1)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 115009606
- ChEMBL
- CHEMBL4650332
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Not Yet Recruiting Treatment Sickle Cell Disease (SCD) 1 2 Recruiting Treatment Sickle Cell Disease (SCD) 1 2 Recruiting Treatment Sickle Cell Disease (SCD) / Thalassemia 1 2 Recruiting Treatment Very Low Risk, Low Risk, or Intermediate Risk MDS Per IPSS-R 1 2, 3 Recruiting Treatment Sickle Cell Disease (SCD) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP -0.25 Chemaxon pKa (Strongest Acidic) 15.18 Chemaxon pKa (Strongest Basic) 3.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 109.27 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 116.39 m3·mol-1 Chemaxon Polarizability 46.61 Å3 Chemaxon Number of Rings 5 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 13, 2023 18:03 / Updated at September 15, 2023 10:38