Unesbulin
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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
- Unesbulin
- DrugBank Accession Number
- DB18080
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 420.347
Monoisotopic: 420.112185258 - Chemical Formula
- C19H13F5N6
- Synonyms
- 4,6-pyrimidinediamine, 5-fluoro-2-(6-fluoro-2-methyl-1h-benzimidazol-1-yl)-n4-(4-(trifluoromethyl)phenyl)-
- 5-fluoro-2-(6-fluoro-2-methyl-1h-benzimidazol-1-yl)-n4-(4-(trifluoromethyl)phenyl)-4,6-pyrimidinediamine
- 5-fluoro-2-(6-fluoro-2-methyl-1h-benzo(d)imidazole-1-yl)-n4-(4-(trifluoromethyl)phenyl)pyrimidine-4,6-diamine
- 5-fluoro-2-(6-fluoro-2-methyl-1H-benzo[d]imidazole-1-yl)-N4-(4-(trifluoromethyl)phenyl)pyrimidine-4,6-diamine
- Bmi1 inhibitor ptc596
- Polycomb ring finger oncogene inhibitor ptc596
- External IDs
- PTC 596
- PTC-596
- PTC596
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
- Z4HZ70S62Q
- CAS number
- 1610964-64-1
- InChI Key
- TWLWOOPCEXYVBE-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H13F5N6/c1-9-26-13-7-4-11(20)8-14(13)30(9)18-28-16(25)15(21)17(29-18)27-12-5-2-10(3-6-12)19(22,23)24/h2-8H,1H3,(H3,25,27,28,29)
- IUPAC Name
- 5-fluoro-2-(6-fluoro-2-methyl-1H-1,3-benzodiazol-1-yl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
- SMILES
- CC1=NC2=CC=C(F)C=C2N1C1=NC(N)=C(F)C(NC2=CC=C(C=C2)C(F)(F)F)=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 58810270
- ChEMBL
- CHEMBL4594353
- PDBe Ligand
- SOZ
- PDB Entries
- 8c0f
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2, 3 Active Not Recruiting Treatment Leiomyosarcoma (LMS) 1 1 Active Not Recruiting Treatment Diffuse Intrinsic Pontine Gliomas (DIPG) / High Grade Glioma (HGG) 1 1 Completed Treatment Cancer 1 1 Completed Treatment Leiomyosarcoma (LMS) 1 1 Completed Treatment Ovarian Cancer 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 logP 4.98 Chemaxon pKa (Strongest Acidic) 14.89 Chemaxon pKa (Strongest Basic) 5.13 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 81.65 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 111.23 m3·mol-1 Chemaxon Polarizability 36.57 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 09, 2023 01:26 / Updated at September 12, 2023 18:33