This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Dubermatinib
- DrugBank Accession Number
- DB15187
- Background
Dubermatinib is under investigation in clinical trial NCT03572634 (Phase 1/2 Study of TP-0903 (an Inhibitor of AXL Kinase) in Patients With Previously Treated CLL).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Dubermatinib (DB15187)
- Weight
- Average: 516.06
Monoisotopic: 515.1870221 - Chemical Formula
- C24H30ClN7O2S
- Synonyms
- Dubermatinib
- External IDs
- TP-0903
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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 benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzenesulfonamides
- Direct Parent
- Benzenesulfonamides
- Alternative Parents
- Benzenesulfonyl compounds / Aniline and substituted anilines / Phenylmethylamines / Benzylamines / Aminopyrimidines and derivatives / Aralkylamines / N-methylpiperazines / Halopyrimidines / Organosulfonamides / Aryl chlorides show 9 more
- Substituents
- 1,4-diazinane / Amine / Aminopyrimidine / Aminosulfonyl compound / Aniline or substituted anilines / Aralkylamine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle show 27 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 14D65TV20J
- CAS number
- 1341200-45-0
- InChI Key
- YUAALFPUEOYPNX-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)
- IUPAC Name
- 2-{[5-chloro-2-({4-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)pyrimidin-4-yl]amino}-N,N-dimethylbenzene-1-sulfonamide
- SMILES
- CN(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(CN3CCN(C)CC3)C=C2)=NC=C1Cl
References
- General References
- Not Available
- External Links
- ChemSpider
- 28516684
- BindingDB
- 50382425
- ChEMBL
- CHEMBL2022968
- ZINC
- ZINC000084617535
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 1 Completed Treatment Advanced Solid Tumors / BRAF-Mutated Melanoma / Colorectal Carcinoma (CRC) / EGFR Positive Non-small Cell Lung Cancer / Recurrent Ovarian Carcinoma 1 1, 2 Recruiting Treatment Previously Untreated Acute Myeloid Leukemia 1 1, 2 Terminated Treatment Chronic Lymphocytic Leukemia / Small Lymphocytic Lymphoma 1 0 Completed Treatment Acute Myeloid Leukemia / Secondary Acute Myeloid Leukemia (Secondary AML, sAML) / Treatment-Related Acute Myeloid Leukemia 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 0.0392 mg/mL ALOGPS logP 3.57 ALOGPS logP 3.65 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 11.54 Chemaxon pKa (Strongest Basic) 8.04 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 93.7 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 141.3 m3·mol-1 Chemaxon Polarizability 55.45 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:57 / Updated at February 21, 2021 18:55