NAV

Rebastinib

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Rebastinib
DrugBank Accession Number
DB13005
Background

Rebastinib has been used in trials studying the treatment of Chronic Myeloid Leukemia. It is an inhibitor of Tie2 tyrosine kinase receptor and an antineoplastic agent.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 553.5868
Monoisotopic: 553.223766002
Chemical Formula
C30H28FN7O3
Synonyms
  • Rebastinib
External IDs
  • DCC-2036 FREE BASE
  • DP 1919
  • DP-1919
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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 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.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Rebastinib is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Rebastinib is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Rebastinib is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Rebastinib is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Rebastinib is combined with Bupivacaine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Rebastinib tosylate042A5NJE6B1033893-29-6ARPBZBAWXAVDCE-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Ethers
Direct Parent
Diarylethers
Alternative Parents
N-phenylureas / Quinolines and derivatives / Pyridinecarboxamides / 2-heteroaryl carboxamides / Phenol ethers / Phenoxy compounds / Fluorobenzenes / Aryl fluorides / Heteroaromatic compounds / Pyrazoles
show 9 more
Substituents
2-heteroaryl carboxamide / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole / Benzenoid / Carbonic acid derivative / Carbonyl group / Carboxamide group
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
organofluorine compound, pyrazoles, quinolines, ureas, pyridinecarboxamide (CHEBI:62166)
Affected organisms
Not Available

Chemical Identifiers

UNII
75017Q6I97
CAS number
1020172-07-9
InChI Key
WVXNSAVVKYZVOE-UHFFFAOYSA-N
InChI
InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)
IUPAC Name
4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
SMILES
CNC(=O)C1=CC(OC2=CC=C(NC(=O)NC3=CC(=NN3C3=CC4=CC=CN=C4C=C3)C(C)(C)C)C(F)=C2)=CC=N1

References

General References
Not Available
PubChem Compound
25066467
PubChem Substance
347829142
ChemSpider
26325986
BindingDB
185674
ChEBI
62166
ChEMBL
CHEMBL1738757
ZINC
ZINC000063933734
PDBe Ligand
919
Wikipedia
Bcr-Abl_tyrosine-kinase_inhibitor
PDB Entries
3qri / 3qrj / 5g6v / 6cnh / 6mwe

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
1CompletedTreatmentChronic Myelogenous Leukemia (CML)1
1TerminatedTreatmentBreast Adenocarcinoma / Breast Cancer / Carcinoma Breast Stage IV / Human Epidermal Growth Factor 2 Negative Carcinoma of Breast / Recurrent Breast Carcinoma1
1, 2CompletedTreatmentMetastatic or Locally Advanced Solid Tumors2

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 Solubility0.00431 mg/mLALOGPS
logP4.93ALOGPS
logP5.27Chemaxon
logS-5.1ALOGPS
pKa (Strongest Acidic)10.46Chemaxon
pKa (Strongest Basic)4.69Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area123.06 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity153.79 m3·mol-1Chemaxon
Polarizability57.5 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
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/MSsplash10-0uk9-0000090000-75b85d90d34592aed633
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0690-1090220000-f4941e65f9ccd22a1064
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uk9-0020290000-f1ab46197fd27f719f2f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1090000000-731c7f4397305ca91a14
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f79-1190620000-64b4edbde2a475da384c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00mk-3194820000-171e13beff3abd895dbb
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-225.96754
predicted
DeepCCS 1.0 (2019)
[M+H]+228.00352
predicted
DeepCCS 1.0 (2019)
[M+Na]+233.91646
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 02:00 / Updated at January 14, 2023 19:03