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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
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 Malignancies 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 November 02, 2018 07:13