NAV

Dubermatinib

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
3D
Similar Structures
Weight
Average: 516.06
Monoisotopic: 515.1870221
Chemical Formula
C24H30ClN7O2S
Synonyms
  • Dubermatinib
External IDs
  • TP-0903
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
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
ChemSpider
28516684
BindingDB
50382425
ChEMBL
CHEMBL2022968
ZINC
ZINC000084617535

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Solid Tumors / BRAF-Mutated Melanoma / Colorectal Carcinoma (CRC) / EGFR Positive Non-small Cell Lung Cancer / Recurrent Ovarian Carcinoma1
1, 2RecruitingTreatmentPreviously Untreated Acute Myeloid Leukemia1
1, 2TerminatedTreatmentChronic Lymphocytic Leukemia / Small Lymphocytic Lymphoma1
0CompletedTreatmentAcute Myeloid Leukemia / Secondary Acute Myeloid Leukemia (Secondary AML, sAML) / Treatment-Related Acute Myeloid Leukemia1

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
PropertyValueSource
Water Solubility0.0392 mg/mLALOGPS
logP3.57ALOGPS
logP3.65Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)11.54Chemaxon
pKa (Strongest Basic)8.04Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area93.7 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity141.3 m3·mol-1Chemaxon
Polarizability55.45 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0000390000-d50da9011b367e55f87e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0200590000-94e9bb6927d1190da31c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01b9-0000940000-1021a507f12dbae778d4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9001510000-87a69154481e94845833
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ab9-0002910000-d45de14dd4895f1920c6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-9362720000-dc0aaf84f5570a66d0b5
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:57 / Updated at February 21, 2021 18:55