Sepiapterin
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Sepiapterin
- DrugBank Accession Number
- DB16326
- Background
Sepiapterin is under investigation in clinical trial NCT03519711 (A Study of CNSA-001 in Primary Tetrahydrobiopterin (BH4) Deficient Participants With Hyperphenylalaninemia).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 237.219
Monoisotopic: 237.086189234 - Chemical Formula
- C9H11N5O3
- Synonyms
- L-sepiapterin
- Sepiapterine
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- CJQ26KO7HP
- CAS number
- 17094-01-8
- InChI Key
- VPVOXUSPXFPWBN-VKHMYHEASA-N
- InChI
- InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1
- IUPAC Name
- 2-amino-6-[(2S)-2-hydroxypropanoyl]-1,4,7,8-tetrahydropteridin-4-one
- SMILES
- C[C@H](O)C(=O)C1=NC2=C(NC1)NC(N)=NC2=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0000238
- KEGG Compound
- C00835
- ChemSpider
- 58746
- ChEMBL
- CHEMBL1255653
- ZINC
- ZINC000017721961
- Wikipedia
- Sepiapterin
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Recruiting Treatment Phenylketonuria (PKU) 1 2 Completed Treatment Gastroparesis 1 1, 2 Completed Treatment BH4 Deficiency / Hyperphenylalaninemia 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 Water Solubility 1.18 mg/mL ALOGPS logP -1.1 ALOGPS logP -1.4 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 13.52 Chemaxon pKa (Strongest Basic) 3.42 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 129.17 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 67.5 m3·mol-1 Chemaxon Polarizability 22.41 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 splash10-000i-0090000000-5349a601be9b0f15a5a5 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-1590000000-221edf00506f979569a0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00dr-0590000000-2cf9bde9c999c417e540 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udr-0900000000-7a8c971e1d15fca9b0d9 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0079-1910000000-4a6752e58e8f5351aba6 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0f7c-2900000000-c26a0a351b9569d9bdac Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 160.1923876 predictedDarkChem Lite v0.1.0 [M-H]- 161.3086876 predictedDarkChem Lite v0.1.0 [M-H]- 160.7606876 predictedDarkChem Lite v0.1.0 [M-H]- 152.0328 predictedDeepCCS 1.0 (2019) [M+H]+ 160.3752876 predictedDarkChem Lite v0.1.0 [M+H]+ 158.3233198 predictedDarkChem Standard v0.1.0 [M+H]+ 160.3386876 predictedDarkChem Lite v0.1.0 [M+H]+ 154.3908 predictedDeepCCS 1.0 (2019) [M+Na]+ 161.1754876 predictedDarkChem Lite v0.1.0 [M+Na]+ 161.2909876 predictedDarkChem Lite v0.1.0 [M+Na]+ 161.0616876 predictedDarkChem Lite v0.1.0 [M+Na]+ 160.48396 predictedDeepCCS 1.0 (2019)
Drug created at December 15, 2020 20:02 / Updated at December 20, 2020 03:41