Prexasertib

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

Identification

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Name
Prexasertib
Accession Number
DB12008
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
LY-2606368 / LY2606368
Categories
Not Available
UNII
820NH671E6
CAS number
1234015-52-1
Weight
Average: 365.397
Monoisotopic: 365.16002288
Chemical Formula
C18H19N7O2
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

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
46700756
PubChem Substance
347828326
ChemSpider
32738771
ChEMBL
CHEMBL3544911
Wikipedia
Prexasertib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingBasic ScienceCancer, Advanced1
1Active Not RecruitingTreatmentCancer, Breast / Neoplasms Metastasis / Neoplasms, Colorectal1
1Active Not RecruitingTreatmentNeoplasms1
1CompletedTreatmentAnal Squamous Cell Carcinoma / Cancer, Advanced / Carcinoma, Squamous Cell of Head and Neck / Lung Cancer Non-Small Cell Cancer (NSCLC) / Lung Squamous Cell Carcinoma Stage IV / Squamous Cell Carcinoma (SCC)1
1CompletedTreatmentCancer, Advanced / Colorectal Cancers / Lung Cancer Non-Small Cell Cancer (NSCLC) / Metastatic Cancers1
1CompletedTreatmentNeoplasms, Head and Neck1
1RecruitingTreatmentChildhood Solid Neoplasm / Recurrent Central Nervous System Neoplasm / Recurrent Malignant Solid Neoplasm / Refractory Central Nervous System Neoplasm / Refractory Malignant Solid Neoplasm1
1RecruitingTreatmentAcute, recurrent Myeloid Leukemia / Chronic Myelomonocytic Leukemia / Leukemias / Recurrent High Risk Myelodysplastic Syndrome / Refractory Acute Myeloid Leukemia / Refractory High Risk Myelodysplastic Syndrome1
1RecruitingTreatmentMalignancies1
1RecruitingTreatmentTumors, Solid1
1TerminatedTreatmentLeukemia Acute Myeloid Leukemia (AML) / Myelodysplastic Syndromes1
2Active Not RecruitingTreatmentCancer of the Ovary1
2CompletedTreatmentLung Cancer Small Cell Lung Cancer (SCLC)1
2RecruitingTreatmentAdvanced Cancers1
2RecruitingTreatmentCancer of the Ovary / Cancer, Breast / MCRPC / Prostate 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 Solubility0.0496 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

Taxonomy

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
Phenylpyrazole / Anisole / Phenol ether / Methoxybenzene / Phenoxy compound / Alkyl aryl ether / Aminopyrazine / Imidolactam / Benzenoid / Monocyclic benzene moiety
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:10 / Updated on June 04, 2019 07:30