Ceralasertib

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

Identification

Name
Ceralasertib
Accession Number
DB14917
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
  • ATR KINASE INHIBITOR AZD6738
External IDs
AZD-6738 / AZD6738
Categories
UNII
85RE35306Z
CAS number
1352226-88-0
Weight
Average: 412.51
Monoisotopic: 412.168145211
Chemical Formula
C20H24N6O2S
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=CC(=NC(=N1)C1=CN=CC2=C1C=CN2)C1(CC1)[S@](C)(=N)=O

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
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

References

General References
Not Available
External Links
ChemSpider
58828171

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentHead and Neck Squamous Cell Carcinoma (HNSCC)1
1Active Not RecruitingTreatmentSolid Tumour Refractory to Conventional Treatment1
1CompletedTreatment11q-deleted Relapsed/Refractory Chronic Lymphocytic Leukaemia (CLL) / Lymphoma, B Cell / Lymphoma, B-Cell / Prolymphocytic Leukaemia (PLL)1
1RecruitingTreatmentLeukemias / Myelodysplastic Syndrome1
1RecruitingTreatmentLymphoma, Large B-Cell, Diffuse (DLBCL) / Non-Hodgkin's Lymphoma (NHL)1
1RecruitingTreatmentMalignancies1
1RecruitingTreatmentRefractory Cancer1
1, 2RecruitingTreatmentAdv Solid Malig - H&N SCC, ATM Pro / Def NSCLC, Gastric & Breast Cancer1
1, 2RecruitingTreatmentChronic Lymphocytic Leukaemia (CLL)1
2Active Not RecruitingTreatmentMalignancies1
2Active Not RecruitingTreatmentPlatinum Refractory Extensive-Stage Small Cell Lung Carcinoma1
2Active Not RecruitingTreatmentSmall Cell Lung Cancer (SCLC)1
2Not Yet RecruitingTreatmentAdvanced Breast Carcinoma / Anatomic Stage III Breast Cancer AJCC v8 / Anatomic Stage IIIA Breast Cancer AJCC v8 / Anatomic Stage IIIB Breast Cancer AJCC v8 / Anatomic Stage IIIC Breast Cancer AJCC v8 / Anatomic Stage IV Breast Cancer AJCC v8 / Germline BRCA1 Gene Mutation / Germline BRCA2 Gene Mutation / HER2/Neu Negative / Metastatic Breast Carcinoma / Prognostic Stage III Breast Cancer AJCC v8 / Prognostic Stage IIIA Breast Cancer AJCC v8 / Prognostic Stage IIIB Breast Cancer AJCC v8 / Prognostic Stage IIIC Breast Cancer AJCC v8 / Prognostic Stage IV Breast Cancer AJCC v81
2Not Yet RecruitingTreatmentBile Duct Carcinoma / Chemotherapy Effect2
2Not Yet RecruitingTreatmentOvarian Cancer1
2Not Yet RecruitingTreatmentSmall Cell Lung Cancer (SCLC)1
2RecruitingOtherAdvanced Breast Cancer1
2RecruitingOtherNeoplasms, Breast1
2RecruitingTreatmentAdenocarcinomas / Lung Cancer Non-Small Cell Cancer (NSCLC) / Squamous Cell Carcinoma (SCC)1
2RecruitingTreatmentClear Cell Renal Cell Carcinoma / Locally Advance Pancreatic Ductal Adenocarcinoma / Locally Advanced Malignant Solid Neoplasm / Locally Advanced Pancreatic Cancer / Metastatic Malignant Solid Neoplasm / Metastatic Renal Cell Carcinoma / Pancreatic Cancer Metastatic / Pancreatic Ductal Adenocarcinoma / Stage III Pancreatic Cancer / Stage III Pancreatic Cancer AJCC v8 / Stage III Renal Cell Cancer / Stage III Renal Cell Cancer AJCC v8 / Stage IV Pancreatic Cancer / Stage IV Pancreatic Cancer AJCC v8 / Stage IV Renal Cell Cancer / Stage IV Renal Cell Cancer AJCC v8 / Urothelial carcinoma ureter metastatic1
2RecruitingTreatmentGastric Adenocarcinoma / Melanoma, Malignant1
2RecruitingTreatmentGynaecological Cancers1
2RecruitingTreatmentHigh Grade Serous Carcinoma1
2RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)2
2RecruitingTreatmentMalignant Solid Neoplasm / Refractory Cholangiocarcinoma / Refractory Malignant Solid Neoplasm1
2RecruitingTreatmentMetastatic Triple Negative Breast Cancer1
2RecruitingTreatmentProstate Cancer1

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
Polarizability43.18 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

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 08:34 / Updated on March 01, 2020 21:58

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