Identification
- Generic Name
- Vorasidenib
- DrugBank Accession Number
- DB17097
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Vorasidenib (DB17097)
- Weight
- Average: 414.74
Monoisotopic: 414.0794411 - Chemical Formula
- C14H13ClF6N6
- Synonyms
- 1,3,5-triazine-2,4-diamine, 6-(6-chloro-2-pyridinyl)-n2,n4-bis((1r)-2,2,2-trifluoro-1-methylethyl)-
- Vorasidenib
- External IDs
- AG-881
Pharmacology
- Indication
Not Available
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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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 789Q85GA8P
- CAS number
- 1644545-52-7
- InChI Key
- QCZAWDGAVJMPTA-RNFRBKRXSA-N
- InChI
- InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1
- IUPAC Name
- 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
- SMILES
- C[C@@H](NC1=NC(=NC(N[C@H](C)C(F)(F)F)=N1)C1=CC=CC(Cl)=N1)C(F)(F)F
References
- General References
- Not Available
- External Links
- ChemSpider
- 64835242
- BindingDB
- 279948
- ChEMBL
- CHEMBL4279047
- PDBe Ligand
- 9UO
- PDB Entries
- 6adg / 6adi / 6vei / 6vfz
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Active Not Recruiting Treatment Grade II Glioma / Recurrent Gliomas / Residual Glioma 1 1 Active Not Recruiting Treatment Glioma 2 1 Completed Basic Science Healthy Male Participants 1 1 Completed Basic Science Healthy Volunteers (HV) 1 1 Completed Treatment Acute Myeloid Leukemia / Hematological Malignancy / Myelodysplastic Syndrome 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 0.0508 mg/mL ALOGPS logP 5.15 ALOGPS logP 5.25 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 9.9 Chemaxon pKa (Strongest Basic) 5.04 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 75.62 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 101.29 m3·mol-1 Chemaxon Polarizability 33.89 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No 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
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 14, 2022 20:35 / Updated at December 01, 2022 11:34