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

Identification

Generic Name
Prexasertib
DrugBank Accession Number
DB12008
Background

Prexasertib has been used in trials studying the treatment and basic science of mCRPC, Leukemia, Neoplasm, BREAST CANCER, and Ovarian Cancer, among others.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 365.397
Monoisotopic: 365.16002288
Chemical Formula
C18H19N7O2
Synonyms
  • Prexasertib
External IDs
  • LY-2606368
  • LY2606368

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Pyrazoles
Direct Parent
Phenylpyrazoles
Alternative Parents
Phenoxy compounds / Methoxybenzenes / Anisoles / Aminopyrazines / Alkyl aryl ethers / Imidolactams / Heteroaromatic compounds / Secondary amines / Nitriles / Azacyclic compounds
show 2 more
Substituents
Alkyl aryl ether / Amine / Aminopyrazine / Anisole / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Carbonitrile / Cyanide / Ether
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
820NH671E6
CAS number
1234015-52-1
InChI Key
DOTGPNHGTYJDEP-UHFFFAOYSA-N
InChI
InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)
IUPAC Name
5-({5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl}amino)pyrazine-2-carbonitrile
SMILES
COC1=CC=CC(OCCCN)=C1C1=CC(NC2=CN=C(C=N2)C#N)=NN1

References

General References
Not Available
PubChem Compound
46700756
PubChem Substance
347828326
ChemSpider
32738771
ChEMBL
CHEMBL3544911
ZINC
ZINC000095837013
Wikipedia
Prexasertib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentCancer, Advanced1
2CompletedTreatmentBreast Cancer / Ovarian Cancer / Prostate Cancer1
2CompletedTreatmentOvarian Cancer1
2CompletedTreatmentSmall Cell Lung Cancer (SCLC)1
2RecruitingTreatmentTriple Negative Breast Cancer1
1Active Not RecruitingTreatmentAcute, recurrent Myeloid Leukemia / Chronic Myelomonocytic Leukemia (CMML) / Recurrent High Risk Myelodysplastic Syndrome / Refractory Acute Myelogenous Leukemia (AML) / Refractory High Risk Myelodysplastic Syndrome1
1Active Not RecruitingTreatmentCancer Brain / Central Nervous System Neoplasms / Cns Cancer / Medulloblastoma, Non-WNT/Non-SHH / Medulloblastoma, Non-WNT/Non-SHH, Group 3 / Medulloblastoma, Non-WNT/Non-SHH, Group 4 / Medulloblastomas / Neoplasms, Brain / Pediatric Brain Tumors / Recurrent Brain Tumors / Recurrent Medulloblastoma / Refractory Brain Tumors / Tumors of the Central Nervous System1
1CompletedBasic ScienceCancer, Advanced1
1CompletedTreatmentBreast Cancer / Neoplasms, Colorectal / Neoplasms, Metastasis1
1CompletedTreatmentCancer, Advanced / Colorectal Cancer / Metastatic Cancers / Non-Small Cell Lung Carcinoma (NSCLC)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 Solubility0.0496 mg/mLALOGPS
logP1.77ALOGPS
logP0.73ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)10.02ChemAxon
pKa (Strongest Basic)9.85ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area134.76 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity100.65 m3·mol-1ChemAxon
Polarizability37.99 Å3ChemAxon
Number of Rings3ChemAxon
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 21:10 / Updated at February 21, 2021 18:53