Ronopterin
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Ronopterin
- DrugBank Accession Number
- DB12575
- Background
Ronopterin has been used in trials studying the treatment of Traumatic Brain Injury.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 240.2623
Monoisotopic: 240.133473786 - Chemical Formula
- C9H16N6O2
- Synonyms
- Ronopterin
- External IDs
- VAS-203
- VAS203
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pteridines and derivatives
- Sub Class
- Not Available
- Direct Parent
- Pteridines and derivatives
- Alternative Parents
- Secondary alkylarylamines / Aminopyrimidines and derivatives / Imidolactams / Heteroaromatic compounds / 1,3-aminoalcohols / Secondary alcohols / 1,2-diols / 1,2-aminoalcohols / Azacyclic compounds / Primary amines show 1 more
- Substituents
- 1,2-aminoalcohol / 1,2-diol / 1,3-aminoalcohol / Alcohol / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Heteroaromatic compound / Hydrocarbon derivative show 11 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 1D1Z87AY23
- CAS number
- 185243-78-1
- InChI Key
- NDSDGUULXHNXGA-RPDRRWSUSA-N
- InChI
- InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)/t3-,4+,6-/m0/s1
- IUPAC Name
- (1R,2S)-1-[(6R)-2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl]propane-1,2-diol
- SMILES
- [H][C@@]1(CNC2=C(N1)C(N)=NC(N)=N2)[C@@H](O)[C@H](C)O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1dwv
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data3 Completed Treatment Traumatic Brain Injury (TBI) 1 somestatus stop reason just information to hide 2 Completed Treatment Traumatic Brain Injury (TBI) 1 somestatus stop reason just information to hide 1 Completed Other Renal Function Impairment in Healthy Volunteers 1 somestatus stop reason just information to hide
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 5.88 mg/mL ALOGPS logP -0.65 ALOGPS logP -1.8 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 13.53 Chemaxon pKa (Strongest Basic) 6.97 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 142.34 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 67.46 m3·mol-1 Chemaxon Polarizability 24.25 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-00kb-3930000000-77a31d8b9573f442cd20 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-64a39b13c6f8424656f1 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-002k-0930000000-cc6564f1e754c10415ae Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0ug3-0920000000-de57a8be4464d61cf4d9 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0adi-0290000000-c5fa80f5ff3a40a8e82a Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-05i0-0910000000-40dfc3249587238927fc Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-5900000000-25c9a959a03ae9a61b04 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]- 156.4134465 predictedDarkChem Lite v0.1.0 [M-H]- 150.12022 predictedDeepCCS 1.0 (2019) [M+H]+ 156.6396465 predictedDarkChem Lite v0.1.0 [M+H]+ 152.51613 predictedDeepCCS 1.0 (2019) [M+Na]+ 158.69234 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:58 / Updated at February 21, 2021 18:53