NAV

AT9283

Identification

Generic Name
AT9283
DrugBank Accession Number
DB05169
Background

AT9283 is an aurora Kinase inhibitor developed by Astex Therapeutics for the treatment of cancer. It was discovered and developed internally using Astex’s fragment-based drug discovery platform, Pyramid.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 381.44
Monoisotopic: 381.191323009
Chemical Formula
C19H23N7O2
Synonyms
  • 1-Cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1H-benzoimidazol-2-yl)-1H-pyrazol-4-yl]-urea
External IDs
  • AT 9283
  • AT9283
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Pharmacology

Indication

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

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

AT9283 is an inhibitor of mitosis (cell division) and is the second most progressed drug candidate in the Astex portfolio of novel molecularly targeted cancer drugs. All of Astex’s current products have been discovered internally using its proprietary drug discovery approach. AT9283 is a potent inhibitor of the Aurora A and B kinases and has been shown to arrest tumour growth in a range of tumour models. Aurora kinases play a key role in mitotic checkpoint control in cell division. Both Aurora A and B are over-expressed in many human tumours and are believed to be excellent targets for anti-cancer therapy.

TargetActionsOrganism
UAurora kinase ANot AvailableHumans
UAurora kinase BNot 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

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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
XAV9KYN9WL
CAS number
896466-04-9
InChI Key
LOLPPWBBNUVNQZ-UHFFFAOYSA-N
InChI
InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
IUPAC Name
N'-cyclopropyl-N-(3-{5-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1H-pyrazol-4-yl)carbamimidic acid
SMILES
OC(NC1=CNN=C1C1=NC2=C(N1)C=CC(CN1CCOCC1)=C2)=NC1CC1

References

General References
  1. Sun L, Li D, Dong X, Yu H, Dong JT, Zhang C, Lu X, Zhou J: Small-molecule inhibition of Aurora kinases triggers spindle checkpoint-independent apoptosis in cancer cells. Biochem Pharmacol. 2008 Mar 1;75(5):1027-34. doi: 10.1016/j.bcp.2007.11.007. Epub 2007 Nov 22. [Article]
Human Metabolome Database
HMDB0248690
PubChem Substance
347909996
ChemSpider
21437042
BindingDB
50243388
ChEMBL
CHEMBL495727
ZINC
ZINC000038995988
PDBe Ligand
35R
Wikipedia
Aurora_inhibitors
PDB Entries
4qmm / 5n23 / 5ut0 / 5wim / 6cpg / 6d2i

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMultiple Myeloma (MM)1
1CompletedTreatmentLeukemias1
1CompletedTreatmentNon-Hodgkin's Lymphoma (NHL) / Non-Hodgkin's Lymphomas / Unspecified Adult Solid Tumor, Protocol Specific1
1CompletedTreatmentUnspecified Childhood Solid Tumor, Protocol Specific1
1, 2TerminatedTreatmentAcute Lymphoblastic Leukaemias (ALL) / Acute Myeloid Leukemia / Chronic Myelogenous Leukemia (CML) / Myelodysplastic Syndrome / Myelofibrosis1

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 Solubility0.0652 mg/mLALOGPS
logP1.9ALOGPS
logP0.48Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)5.29Chemaxon
pKa (Strongest Basic)6.82Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area114.45 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity117.17 m3·mol-1Chemaxon
Polarizability41.61 Å3Chemaxon
Number of Rings5Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Targets

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Details1. Aurora kinase A
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
Details2. Aurora kinase B
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Protein serine/threonine/tyrosine kinase activity
Specific Function
Serine/threonine-protein kinase component of the chromosomal passenger complex (CPC), a complex that acts as a key regulator of mitosis. The CPC complex has essential functions at the centromere in...
Gene Name
AURKB
Uniprot ID
Q96GD4
Uniprot Name
Aurora kinase B
Molecular Weight
39310.195 Da

Drug created at October 21, 2007 22:24 / Updated at November 18, 2022 07:07