Cenisertib

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

Identification

Name
Cenisertib
Accession Number
DB06347
Description

Cenisertib is an aurora kinase inhibitor.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 451.55
Monoisotopic: 451.249586777
Chemical Formula
C24H30FN7O
Synonyms
Not Available
External IDs
  • AS 703569
  • AS-703569
  • AS703569
  • R 763
  • R-763
  • R763

Pharmacology

Indication

Investigated for use/treatment in solid tumors, leukemia (myeloid), myelodysplastic syndrome, and cancer/tumors (unspecified).

Contraindications & Blackbox Warnings
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Pharmacodynamics
Not Available
Mechanism of action

R763 is a highly potent and specific inhibitor of Aurora kinase, which has been shown to block proliferation and trigger apoptosis (cell death) in several tumor cell lines including cervical, colon, lung, pancreas and prostate. The over-expression of Aurora kinase can cause cells to rapidly develop an abnormal number of chromosomes. Elevated levels of Aurora kinase are frequently associated with various human cancers and inhibition of this enzyme disrupts cell division and promotes apoptosis. [Rigel Pharmaceuticals Press Release] A probable target for R763 is Aurora kinase A (serine/threonine protein kinase 6).

TargetActionsOrganism
UAurora kinase ANot AvailableHumans
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
Affected organisms
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

Products

Categories

Drug Categories
Classification
Not classified

Chemical Identifiers

UNII
5277GPA358
CAS number
871357-89-0
InChI Key
KSOVGRCOLZZTPF-QMKUDKLTSA-N
InChI
InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1
IUPAC Name
(1S,2S,3R,4R)-3-[(5-fluoro-2-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILES
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2NC1=C(F)C=NC(NC2=CC=C(N3CCN(C)CC3)C(C)=C2)=N1)C(N)=O

References

General References
  1. Ewart-Toland A, Dai Q, Gao YT, Nagase H, Dunlop MG, Farrington SM, Barnetson RA, Anton-Culver H, Peel D, Ziogas A, Lin D, Miao X, Sun T, Ostrander EA, Stanford JL, Langlois M, Chan JM, Yuan J, Harris CC, Bowman ED, Clayman GL, Lippman SM, Lee JJ, Zheng W, Balmain A: Aurora-A/STK15 T+91A is a general low penetrance cancer susceptibility gene: a meta-analysis of multiple cancer types. Carcinogenesis. 2005 Aug;26(8):1368-73. Epub 2005 Mar 31. [PubMed:15802297]
  2. Link [Link]
ChemSpider
9744737
BindingDB
50389967
ChEMBL
CHEMBL1614709

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentMalignant Neoplasm of Pancreas1
1CompletedTreatmentTumors, Solid1
1TerminatedTreatmentHaematological Malignancies1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0752 mg/mLALOGPS
logP3.17ALOGPS
logP2.6ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)14.79ChemAxon
pKa (Strongest Basic)7.86ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area99.41 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity130.05 m3·mol-1ChemAxon
Polarizability48.42 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Protein serine/threonine/tyrosine kinase activity
Specific Function
Mitotic serine/threonine kinases that contributes to the regulation of cell cycle progression. Associates with the centrosome and the spindle microtubules during mitosis and plays a critical role i...
Gene Name
AURKA
Uniprot ID
O14965
Uniprot Name
Aurora kinase A
Molecular Weight
45809.03 Da

Drug created on March 19, 2008 10:25 / Updated on June 12, 2020 10:52

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