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

Identification

Generic Name
Berzosertib
DrugBank Accession Number
DB11794
Background

Berzosertib (VX-970) has been used in trials studying the treatment of Ovarian Neoplasms, Ovarian Serous Tumor, Adult Solid Neoplasm, Advanced Solid Tumor, and Advanced Solid Neoplasm, among others.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 463.56
Monoisotopic: 463.167810859
Chemical Formula
C24H25N5O3S
Synonyms
  • Berzosertib
External IDs
  • VE-822
  • VX-970

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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

Adverse Effects
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Improve decision support & research outcomes with our structured adverse effects data.
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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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzenesulfonyl compounds
Direct Parent
Benzenesulfonyl compounds
Alternative Parents
Phenylmethylamines / Benzylamines / Aminopyrazines / Aralkylamines / Imidolactams / Sulfones / Heteroaromatic compounds / Isoxazoles / Oxacyclic compounds / Azacyclic compounds
show 6 more
Substituents
Amine / Aminopyrazine / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Azole / Benzenesulfonyl group / Benzylamine / Heteroaromatic compound / Hydrocarbon derivative
show 18 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
L423PRV3V3
CAS number
1232416-25-9
InChI Key
JZCWLJDSIRUGIN-UHFFFAOYSA-N
InChI
InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)
IUPAC Name
3-(3-{4-[(methylamino)methyl]phenyl}-1,2-oxazol-5-yl)-5-[4-(propane-2-sulfonyl)phenyl]pyrazin-2-amine
SMILES
CNCC1=CC=C(C=C1)C1=NOC(=C1)C1=NC(=CN=C1N)C1=CC=C(C=C1)S(=O)(=O)C(C)C

References

General References
Not Available
PubChem Compound
59472121
PubChem Substance
347828143
ChemSpider
30773968
BindingDB
350085
ChEBI
131166
ChEMBL
CHEMBL3989870
ZINC
ZINC000096170459

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentCastration-Resistant Prostate Carcinoma / Refractory, metastatic hormone-refractory Prostate cancer / Stage IV Prostate Cancer AJCC v81
2Active Not RecruitingTreatmentLeiomyosarcoma (LMS) / Sarcoma, Osteogenic / Solid Tumors1
2Active Not RecruitingTreatmentMetastatic Bladder Urothelial Carcinoma / Metastatic Renal Pelvis and Ureter Urothelial Carcinoma / Metastatic Ureter Urothelial Carcinoma / Stage IV Bladder Urothelial Carcinoma AJCC v71
2Active Not RecruitingTreatmentRecurrent Fallopian Tube Carcinoma / Recurrent Ovarian Carcinoma / Recurrent Primary Peritoneal Carcinoma / Serous Ovarian Tumor1
2Not Yet RecruitingTreatmentLeiomyosarcoma, Adult1
2RecruitingTreatmentBladder Small Cell Neuroendocrine Carcinoma / Extensive Stage Small Cell Lung Carcinoma / Extrapulmonary Small Cell Neuroendocrine Carcinoma / Limited Stage Small Cell Lung Carcinoma / Platinum-Resistant Lung Small Cell Carcinoma / Platinum-Sensitive Lung Small Cell Carcinoma / Prostate Small Cell Neuroendocrine Carcinoma / Recurrent Small Cell Lung Carcinoma1
2RecruitingTreatmentSmall Cell Lung Cancer (SCLC)1
2SuspendedTreatmentClinical Stage III Gastric Cancer AJCC v8 / Clinical Stage III Gastroesophageal Junction Adenocarcinoma AJCC v8 / Clinical Stage IV Gastric Cancer AJCC v8 / Clinical Stage IV Gastroesophageal Junction Adenocarcinoma AJCC v8 / Clinical Stage IVA Gastric Cancer AJCC v8 / Clinical Stage IVA Gastroesophageal Junction Adenocarcinoma AJCC v8 / Clinical Stage IVB Gastric Cancer AJCC v8 / Clinical Stage IVB Gastroesophageal Junction Adenocarcinoma AJCC v8 / Metastatic Gastric Adenocarcinoma / Metastatic Gastroesophageal Junction Adenocarcinoma / Pathologic Stage III Gastric Cancer AJCC v8 / Pathologic Stage III Gastroesophageal Junction Adenocarcinoma AJCC v8 / Pathologic Stage IIIA Gastric Cancer AJCC v8 / Pathologic Stage IIIA Gastroesophageal Junction Adenocarcinoma AJCC v8 / Pathologic Stage IIIB Gastric Cancer AJCC v8 / Pathologic Stage IIIB Gastroesophageal Junction Adenocarcinoma AJCC v8 / Pathologic Stage IIIC Gastric Cancer AJCC v8 / Pathologic Stage IV Gastric Cancer AJCC v8 / Pathologic Stage IV Gastroesophageal Junction Adenocarcinoma AJCC v8 / Pathologic Stage IVA Gastroesophageal Junction Adenocarcinoma AJCC v8 / Pathologic Stage IVB Gastroesophageal Junction Adenocarcinoma AJCC v8 / Postneoadjuvant Therapy Stage III Gastric Cancer AJCC v8 / Postneoadjuvant Therapy Stage III Gastroesophageal Junction Adenocarcinoma AJCC v8 / Postneoadjuvant Therapy Stage IIIA Gastroesophageal Junction Adenocarcinoma AJCC v8 / Postneoadjuvant Therapy Stage IIIB Gastroesophageal Junction Adenocarcinoma AJCC v8 / Postneoadjuvant Therapy Stage IV Gastric Cancer AJCC v8 / Postneoadjuvant Therapy Stage IV Gastroesophageal Junction Adenocarcinoma AJCC v8 / Postneoadjuvant Therapy Stage IVA Gastroesophageal Junction Adenocarcinoma AJCC v8 / Postneoadjuvant Therapy Stage IVB Gastroesophageal Junction Adenocarcinoma AJCC v8 / Unresectable Gastric Adenocarcinoma / Unresectable Gastroesophageal Junction Adenocarcinoma1
1Active Not RecruitingTreatmentHigh Grade Ovarian Serous Adenocarcinoma / Metastatic Fallopian Tube Carcinoma / Metastatic Ovarian carcinoma / Metastatic Primary Peritoneal Carcinoma / Ovarian Endometrioid Tumor / Platinum-Sensitive Ovarian Carcinoma / Recurrent Fallopian Tube Carcinoma / Recurrent Ovarian Carcinoma / Recurrent Primary Peritoneal Carcinoma / Stage IV Fallopian Tube Cancer AJCC v6 and v7 / Stage IV Ovarian Cancer AJCC v6 and v7 / Stage IV Primary Peritoneal Cancer AJCC v71
1Active Not RecruitingTreatmentMetastatic Lung Neuroendocrine Neoplasm / Metastatic Lung Small Cell Carcinoma / Metastatic Malignant Neoplasm in the Brain / Metastatic Non-Small Cell Lung Cancer / Stage IV Lung Cancer AJCC v8 / Stage IVA Lung Cancer AJCC v8 / Stage IVB Lung Cancer AJCC v81

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 Solubility0.0401 mg/mLALOGPS
logP3.1ALOGPS
logP3.16ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)16.52ChemAxon
pKa (Strongest Basic)9.22ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area124 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity128.62 m3·mol-1ChemAxon
Polarizability50.76 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 20, 2016 20:48 / Updated at February 21, 2021 18:53