NAV

Ensartinib

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

Identification

Generic Name
Ensartinib
DrugBank Accession Number
DB14860
Background

Ensartinib is under investigation in clinical trial NCT03420508 (Treating Patients With Melanoma and ALK Alterations With Ensartinib).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 561.44
Monoisotopic: 560.1505723
Chemical Formula
C26H27Cl2FN6O3
Synonyms
  • Ensartinib
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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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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.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Ensartinib is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Ensartinib is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Ensartinib is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Ensartinib is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Ensartinib is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Aromatic anilides
Alternative Parents
Benzamides / 2-heteroaryl carboxamides / Benzoyl derivatives / Dichlorobenzenes / Alkyl aryl ethers / Aminopyridazines / Fluorobenzenes / Aryl chlorides / Aryl fluorides / Piperazines
show 13 more
Substituents
1,3-dichlorobenzene / 1,4-diazinane / 2-heteroaryl carboxamide / Alkyl aryl ether / Amine / Amino acid or derivatives / Aminopyridazine / Aromatic anilide / Aromatic heteromonocyclic compound / Aryl chloride
show 32 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
SMA5ZS5B22
CAS number
1370651-20-9
InChI Key
GLYMPHUVMRFTFV-QLFBSQMISA-N
InChI
InChI=1S/C26H27Cl2FN6O3/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36)/t13-,14+,15-/m1/s1
IUPAC Name
6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-{4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl}pyridazine-3-carboxamide
SMILES
C[C@@H](OC1=CC(=NN=C1N)C(=O)NC1=CC=C(C=C1)C(=O)N1C[C@H](C)N[C@H](C)C1)C1=C(Cl)C=CC(F)=C1Cl

References

General References
Not Available
ChemSpider
58828042
BindingDB
179297
ChEMBL
CHEMBL4113131
ZINC
ZINC000199407645

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentNon-Small Cell Lung Cancer (NSCLC)1
3RecruitingTreatmentNon-Small Cell Lung Cancer (NSCLC)1
2Active Not RecruitingTreatmentMelanoma1
2Active Not RecruitingTreatmentNon-Small Cell Lung Cancer (NSCLC)1
2Active Not RecruitingTreatmentNon-squamous Non-small-cell Lung Cancer (NSQ NSCLC) / 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 Solubility0.00637 mg/mLALOGPS
logP3.35ALOGPS
logP3.95Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)13.82Chemaxon
pKa (Strongest Basic)8Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area122.47 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity147.73 m3·mol-1Chemaxon
Polarizability57.08 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-03dj-0001690000-ec54cd5c73f712aa2fc2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0429030000-92e0a7ba940a45087657
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dj-0001490000-e66bf59395756aa09207
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03yi-5937070000-36610680943fdb261cd4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-06r6-0954080000-e6b78dc1dda327d9a07e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-9652040000-7659e7099f75e1a5160f
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:31 / Updated at February 21, 2021 18:54