NAV

Ceralasertib

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

Identification

Generic Name
Ceralasertib
DrugBank Accession Number
DB14917
Background

Ceralasertib is under investigation in clinical trial NCT03682289 (Phase II Trial of AZD6738 Alone and in Combination With Olaparib).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 412.51
Monoisotopic: 412.168145211
Chemical Formula
C20H24N6O2S
Synonyms
  • Ceralasertib
External IDs
  • ATR KINASE INHIBITOR AZD6738
  • AZD-6738
  • AZD6738
  • WHO 10842

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
USerine/threonine-protein kinase ATR
inhibitor
Humans
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
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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
85RE35306Z
CAS number
1352226-88-0
InChI Key
DTTJKLNXNZAVSM-JYCIKRDWSA-N
InChI
InChI=1S/C20H24N6O2S/c1-13-12-28-8-7-26(13)18-9-17(20(4-5-20)29(2,21)27)24-19(25-18)15-10-22-11-16-14(15)3-6-23-16/h3,6,9-11,13,21,23H,4-5,7-8,12H2,1-2H3/t13-,29-/m1/s1
IUPAC Name
(R)-imino(methyl)(1-{6-[(3R)-3-methylmorpholin-4-yl]-2-{1H-pyrrolo[2,3-c]pyridin-4-yl}pyrimidin-4-yl}cyclopropyl)-lambda6-sulfanone
SMILES
C[C@@H]1COCCN1C1=NC(=NC(=C1)C1(CC1)[S@](C)(=N)=O)C1=CN=CC2=C1C=CN2

References

General References
Not Available
ChemSpider
58828171

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentMetastatic or Advanced Non-Small Cell Lung Cancer (NSCLC)1
2Active Not RecruitingTreatmentAdenocarcinomas / Non-Small Cell Lung Cancer (NSCLC) / Squamous Cell Carcinoma (SCC)1
2Active Not RecruitingTreatmentAdvanced Solid Tumors1
2Active Not RecruitingTreatmentGastric Adenocarcinoma / Malignant Melanoma1
2Active Not RecruitingTreatmentMelanoma1
2Active Not RecruitingTreatmentMetastatic Triple Negative Breast Cancers1
2Active Not RecruitingTreatmentNon-Small Cell Lung Cancer (NSCLC)1
2Active Not RecruitingTreatmentPlatinum Refractory Extensive-Stage Small Cell Lung Carcinoma1
2Active Not RecruitingTreatmentProstate Cancer1
2Active Not RecruitingTreatmentSmall Cell Lung Cancer (SCLC)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 Solubility0.127 mg/mLALOGPS
logP2.4ALOGPS
logP1.91Chemaxon
logS-3.5ALOGPS
pKa (Strongest Acidic)13.76Chemaxon
pKa (Strongest Basic)4.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area107.85 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity121.99 m3·mol-1Chemaxon
Polarizability43.1 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
Not Available

Targets

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Details1. Serine/threonine-protein kinase ATR
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Serine/threonine protein kinase which activates checkpoint signaling upon genotoxic stresses such as ionizing radiation (IR), ultraviolet light (UV), or DNA replication stalling, thereby acting as a DNA damage sensor. Recognizes the substrate consensus sequence [ST]-Q. Phosphorylates BRCA1, CHEK1, MCM2, RAD17, RPA2, SMC1 and p53/TP53, which collectively inhibit DNA replication and mitosis and promote DNA repair, recombination and apoptosis. Phosphorylates 'Ser-139' of histone variant H2AX at sites of DNA damage, thereby regulating DNA damage response mechanism. Required for FANCD2 ubiquitination. Critical for maintenance of fragile site stability and efficient regulation of centrosome duplication. Positively regulates the restart of stalled replication forks following activation by the KHDC3L-OOEP scaffold complex (By similarity).
Specific Function
Atp binding
Gene Name
ATR
Uniprot ID
Q13535
Uniprot Name
Serine/threonine-protein kinase ATR
Molecular Weight
301363.675 Da
References
  1. McMullen M, Karakasis K, Loembe B, Dean E, Parr G, Oza AM: DUETTE: a phase II randomized, multicenter study to investigate the efficacy and tolerability of a second maintenance treatment in patients with platinum-sensitive relapsed epithelial ovarian cancer, who have previously received poly(ADP-ribose) polymerase (PARP) inhibitor maintenance treatment. Int J Gynecol Cancer. 2020 Nov;30(11):1824-1828. doi: 10.1136/ijgc-2020-001694. Epub 2020 Sep 2. [Article]

Drug created at May 20, 2019 14:34 / Updated at May 07, 2021 21:08