Rabusertib

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

Identification

Name
Rabusertib
Accession Number
DB11662
Type
Small Molecule
Groups
Investigational
Description

Rabusertib has been used in trials studying the treatment of Cancer, Solid Tumors, Advanced Cancer, Pancreatic Neoplasms, and Non Small Cell Lung Cancer.

Structure
Thumb
Synonyms
Not Available
External IDs
IC-83 / LY-2603618 / LY2603618
Categories
UNII
3S9L1NU6U7
CAS number
911222-45-2
Weight
Average: 436.31
Monoisotopic: 435.090603
Chemical Formula
C18H22BrN5O3
InChI Key
SYYBDNPGDKKJDU-ZDUSSCGKSA-N
InChI
InChI=1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1
IUPAC Name
3-(5-bromo-4-methyl-2-{[(2S)-morpholin-2-yl]methoxy}phenyl)-1-(5-methylpyrazin-2-yl)urea
SMILES
CC1=NC=C(NC(=O)NC2=C(OC[[email protected]@H]3CNCCO3)C=C(C)C(Br)=C2)N=C1

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Rabusertib.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Rabusertib.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Rabusertib.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Rabusertib.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Rabusertib.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Rabusertib.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Rabusertib.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Rabusertib.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Rabusertib.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Rabusertib.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Rabusertib.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Rabusertib.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Rabusertib.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Rabusertib.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Rabusertib.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Rabusertib.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Rabusertib.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Rabusertib.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Rabusertib.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Rabusertib.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11955855
PubChem Substance
347828031
ChemSpider
10130131
ChEBI
124917
ChEMBL
CHEMBL3039517

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentCancer, Advanced1
1CompletedTreatmentCancers2
1CompletedTreatmentTumors, Solid1
1, 2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
1, 2CompletedTreatmentNeoplasms, Pancreatic1
2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)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
PropertyValueSource
Water Solubility0.0236 mg/mLALOGPS
logP1.43ALOGPS
logP2.01ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)10.47ChemAxon
pKa (Strongest Basic)8.19ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area97.4 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity107.24 m3·mol-1ChemAxon
Polarizability40.68 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
N-phenylureas
Direct Parent
N-phenylureas
Alternative Parents
Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Toluenes / Bromobenzenes / Aryl bromides / Pyrazines / Imidolactams / Morpholines / Heteroaromatic compounds
show 10 more
Substituents
N-phenylurea / Phenoxy compound / Phenol ether / Alkyl aryl ether / Bromobenzene / Halobenzene / Toluene / Aryl bromide / Aryl halide / Morpholine
show 25 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:38 / Updated on November 09, 2017 04:54