DSM-265
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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
- DSM-265
- DrugBank Accession Number
- DB12397
- Background
DSM265 has been used in trials studying the prevention and treatment of Malaria.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 415.33
Monoisotopic: 415.070163721 - Chemical Formula
- C14H12F7N5S
- Synonyms
- 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
- 2-(1,1-Difluoroethyl)-5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
- Sulfur, (4-((2-(1,1-difluoroethyl)-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)amino)phenyl)pentafluoro-, (oc-6-21)-
- External IDs
- DSM 265
- DSM265
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Triazolopyrimidines
- Sub Class
- Not Available
- Direct Parent
- Triazolopyrimidines
- Alternative Parents
- Aniline and substituted anilines / Aminopyrimidines and derivatives / Triazoles / Heteroaromatic compounds / Secondary amines / Azacyclic compounds / Organosulfur compounds / Organofluorides / Hydrocarbon derivatives / Alkyl fluorides
- Substituents
- 1,2,4-triazole / Alkyl fluoride / Alkyl halide / Amine / Aminopyrimidine / Aniline or substituted anilines / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 0Q42P4YI6B
- CAS number
- 1282041-94-4
- InChI Key
- OIZSVTOIBNSVOS-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3
- IUPAC Name
- 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
- SMILES
- CC1=NC2=NC(=NN2C(NC2=CC=C(C=C2)S(F)(F)(F)(F)F)=C1)C(C)(F)F
References
- General References
- Not Available
- External Links
- PubChem Compound
- 51347395
- PubChem Substance
- 347828643
- ChemSpider
- 28498407
- BindingDB
- 50365230
- ChEMBL
- CHEMBL1956285
- ZINC
- ZINC000073311109
- PDBe Ligand
- D65
- PDB Entries
- 4rx0 / 5boo
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Malaria caused by plasmodium vivax / Plasmodium Falciparum, Malaria 1 1 Completed Other Healthy Volunteers (HV) 1 1 Completed Prevention Healthy Volunteers (HV) 1 1 Completed Prevention Plasmodium Falciparum, Malaria 1 1 Terminated Not Available Bioavailability / Healthy Volunteers (HV) 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 0.000979 mg/mL ALOGPS logP 3.73 ALOGPS logP 5.68 Chemaxon logS -5.6 ALOGPS pKa (Strongest Acidic) 15.73 Chemaxon pKa (Strongest Basic) -1.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 55.11 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 98.38 m3·mol-1 Chemaxon Polarizability 35.39 Å3 Chemaxon Number of Rings 3 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 184.68526 predictedDeepCCS 1.0 (2019) [M+H]+ 187.04326 predictedDeepCCS 1.0 (2019) [M+Na]+ 195.1273 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:13 / Updated at July 18, 2023 22:57