Naquotinib

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Naquotinib
Accession Number
DB12036
Type
Small Molecule
Groups
Investigational
Description

Naquotinib has been used in trials studying the treatment of Solid Tumors, Non-small Cell Lung Cancer, Non-Small-Cell Lung Cancer (NSCLC), Epidermal Growth Factor Receptor Mutations, and Epidermal Growth Factor Receptor (EGFR) Mutations, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
ASP-8273 / ASP8273
Product Ingredients
IngredientUNIICASInChI Key
Naquotinib Mesylate12T09LV21O1448237-05-5ALDUQYYVQWGTMR-GJFSDDNBSA-N
Categories
Not Available
UNII
47DD4548PB
CAS number
1448232-80-1
Weight
Average: 562.719
Monoisotopic: 562.337987244
Chemical Formula
C30H42N8O3
InChI Key
QKDCLUARMDUUKN-XMMPIXPASA-N
InChI
InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1
IUPAC Name
6-ethyl-3-({4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)-5-{[(3R)-1-(prop-2-enoyl)pyrrolidin-3-yl]oxy}pyrazine-2-carboxamide
SMILES
CCC1=C(O[C@@H]2CCN(C2)C(=O)C=C)N=C(NC2=CC=C(C=C2)N2CCC(CC2)N2CCN(C)CC2)C(=N1)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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
71667668
PubChem Substance
347828348
ChemSpider
44210447
BindingDB
170514
ChEMBL
CHEMBL3663929
HET
8RC
PDB Entries
5y9t

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentEpidermal Growth Factor Receptor Mutations / Lung Cancer Non-Small Cell Cancer (NSCLC)1
1TerminatedTreatmentEpidermal Growth Factor Receptor (EGFR) Mutations / Lung Cancer Non-Small Cell Cancer (NSCLC)1
1WithdrawnTreatmentEpidermal Growth Factor Receptor (EGFR) Mutations / Tumors, Solid1
1, 2TerminatedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
2RecruitingTreatmentSubjects With NSCLC With an EGFR Activating Mutation1
2TerminatedTreatmentEGFR-TKI-naïve Patients With NSCLC Harboring EGFR Activating Mutations1
3TerminatedTreatmentLung Cancer Non-Small Cell Cancer (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 Solubility0.0688 mg/mLALOGPS
logP3.18ALOGPS
logP3.31ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)13.69ChemAxon
pKa (Strongest Basic)8.57ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area120.16 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity160.68 m3·mol-1ChemAxon
Polarizability63.57 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
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 phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Phenylpiperidines
Direct Parent
Phenylpiperidines
Alternative Parents
Pyrazinecarboxamides / 2-heteroaryl carboxamides / Aniline and substituted anilines / N-acylpyrrolidines / Dialkylarylamines / Alkyl aryl ethers / Aminopiperidines / Aminopyrazines / N-methylpiperazines / Imidolactams
show 11 more
Substituents
Phenylpiperidine / Pyrazine carboxylic acid or derivatives / Pyrazinecarboxamide / 2-heteroaryl carboxamide / N-acylpyrrolidine / Aniline or substituted anilines / Dialkylarylamine / Tertiary aliphatic/aromatic amine / Alkyl aryl ether / 4-aminopiperidine
show 31 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:13 / Updated on June 04, 2019 07:30