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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyRabusertib
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
Structure for Rabusertib (DB11662)
- 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[C@@H]3CNCCO3)C=C(C)C(Br)=C2)N=C1
Pharmacology
- Indication
- 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
Drug Interaction Acetyldigitoxin Acetyldigitoxin may decrease the cardiotoxic activities of Rabusertib. Acetyldigoxin Acetyldigoxin may decrease the cardiotoxic activities of Rabusertib. Ancestim The risk or severity of cytotoxicity can be increased when Ancestim is combined with Rabusertib. Cabazitaxel The risk or severity of adverse effects can be increased when Cabazitaxel is combined with Rabusertib. Cyclophosphamide Cyclophosphamide may increase the cardiotoxic activities of Rabusertib. Cymarin Cymarin may decrease the cardiotoxic activities of Rabusertib. Deslanoside Deslanoside may decrease the cardiotoxic activities of Rabusertib. Digitoxin Digitoxin may decrease the cardiotoxic activities of Rabusertib. Digoxin Digoxin may decrease the cardiotoxic activities of Rabusertib. Docetaxel The risk or severity of adverse effects can be increased when Docetaxel is combined with Rabusertib. - 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
Phase Status Purpose Conditions Count 1 Completed Treatment Cancer, Advanced 1 1 Completed Treatment Cancers 2 1 Completed Treatment Tumors, Solid 1 1, 2 Completed Treatment Lung Cancer Non-Small Cell Cancer (NSCLC) 1 1, 2 Completed Treatment Neoplasms, Pancreatic 1 2 Completed Treatment Lung 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
Property Value Source Water Solubility 0.0236 mg/mL ALOGPS logP 1.43 ALOGPS logP 2.01 ChemAxon logS -4.3 ALOGPS pKa (Strongest Acidic) 10.47 ChemAxon pKa (Strongest Basic) 8.19 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 6 ChemAxon Hydrogen Donor Count 3 ChemAxon Polar Surface Area 97.4 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 107.24 m3·mol-1 ChemAxon Polarizability 40.68 Å3 ChemAxon Number of Rings 3 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not 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 August 02, 2018 06:27