This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Neopterin
- DrugBank Accession Number
- DB15050
- Background
Neopterin is under investigation in clinical trial NCT02974192 (Neopterin Effects on Ischemic Stroke).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Neopterin (DB15050)
- Weight
- Average: 253.2147
Monoisotopic: 253.081103865 - Chemical Formula
- C9H11N5O4
- Synonyms
- Not Available
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- 9PLD60N7SO
- CAS number
- 2009-64-5
- InChI Key
- BMQYVXCPAOLZOK-XINAWCOVSA-N
- InChI
- InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1
- IUPAC Name
- 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3,4-dihydropteridin-4-one
- SMILES
- NC1=NC2=C(N=C(C=N2)[C@H](O)[C@H](O)CO)C(=O)N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 395518
- ZINC
- ZINC000012428336
- PDBe Ligand
- NEU
- Wikipedia
- Neopterin
- PDB Entries
- 2nm2 / 2o90 / 5f3m
Clinical Trials
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 6.26 mg/mL ALOGPS logP -1.8 ALOGPS logP -2.8 ChemAxon logS -1.6 ALOGPS pKa (Strongest Acidic) 9.99 ChemAxon pKa (Strongest Basic) -0.72 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 8 ChemAxon Hydrogen Donor Count 5 ChemAxon Polar Surface Area 153.95 Å2 ChemAxon Rotatable Bond Count 3 ChemAxon Refractivity 60.11 m3·mol-1 ChemAxon Polarizability 23.04 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
- Not Available
Drug created at May 20, 2019 14:45 / Updated at May 29, 2021 18:15