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
Thumb
Weight
Average: 561.44
Monoisotopic: 560.1505723
Chemical Formula
C26H27Cl2FN6O3
Synonyms
  • Ensartinib

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
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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
Darbepoetin alfaThe risk or severity of Thrombosis can be increased when Darbepoetin alfa is combined with Ensartinib.
ErythropoietinThe risk or severity of Thrombosis can be increased when Erythropoietin is combined with Ensartinib.
Methoxy polyethylene glycol-epoetin betaThe risk or severity of Thrombosis can be increased when Methoxy polyethylene glycol-epoetin beta is combined with Ensartinib.
PeginesatideThe risk or severity of Thrombosis can be increased when Peginesatide is combined with Ensartinib.
Interactions
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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 Carcinoma (NSCLC)1
2Active Not RecruitingTreatmentMalignant Melanoma of Skin1
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
2Not Yet RecruitingTreatmentNon-Small Cell Lung Carcinoma (NSCLC) / Tumors Metastatic to Brain1
2RecruitingScreeningAdvanced Malignant Solid Neoplasm / Ann Arbor Stage III Non-Hodgkin Lymphoma / Ann Arbor Stage IV Non-Hodgkin Lymphoma / Ependymoma, Recurrent / Gliomas, Malignant / Histiocytic Sarcoma (HS) / Juvenile Xanthogranuloma (JXG) / Langerhans Cell Histiocytosis (LCH) / Recurrent Childhood Rhabdomyosarcoma / Recurrent Ewing's Sarcoma / Recurrent Gliomas / Recurrent Hepatoblastoma / Recurrent Langerhans Cell Histiocytosis / Recurrent Malignant Germ Cell Tumor / Recurrent Malignant Solid Neoplasm / Recurrent Medulloblastoma / Recurrent Neuroblastoma / Recurrent Non-Hodgkin Lymphoma / Recurrent Osteosarcoma / Recurrent Peripheral Primitive Neuroectodermal Tumor / Recurrent Primary Central Nervous System Neoplasm / Recurrent Rhabdoid Tumor / Recurrent Soft Tissue Sarcoma / Refractory Ewing Sarcoma / Refractory Glioma / Refractory Hepatoblastoma / Refractory Langerhans cell histiocytosis / Refractory Malignant Germ Cell Tumor / Refractory Malignant Solid Neoplasm / Refractory Medulloblastoma / Refractory Neuroblastoma / Refractory Non-Hodgkin's lymphoma / Refractory Osteosarcoma / Refractory Peripheral Primitive Neuroectodermal Tumor / Refractory Primary Central Nervous System Neoplasm / Refractory Rhabdoid Tumor / Refractory Rhabdomyosarcoma / Rhabdoid Tumors / Stage III Osteosarcoma AJCC v7 / Stage III Soft Tissue Sarcoma AJCC v7 / Stage IV Osteosarcoma AJCC v7 / Stage IV Soft Tissue Sarcoma AJCC v7 / Stage IVA Osteosarcoma AJCC v7 / Stage IVB Osteosarcoma AJCC v7 / Wilms' tumor1
2RecruitingTreatmentEpendymoma, Recurrent / Hematopoietic and Lymphoid Cell Neoplasm / Malignant Solid Neoplasms / Recurrent Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor / Recurrent Hepatoblastoma / Recurrent Langerhans Cell Histiocytosis / Recurrent Malignant Germ Cell Tumor / Recurrent Malignant Gliomas / Recurrent Medulloblastoma / Recurrent Neuroblastoma / Recurrent Non-Hodgkin Lymphoma / Recurrent Osteosarcoma / Recurrent Rhabdomyosarcoma / Recurrent Soft Tissue Sarcoma / Recurrent WHO Grade II Glioma / Refractory Ependymoma / Refractory Ewing Sarcoma/Peripheral Primitive Neuroectodermal Tumor / Refractory Hepatoblastoma / Refractory Langerhans cell histiocytosis / Refractory Malignant Germ Cell Tumor / Refractory Malignant Glioma / Refractory Medulloblastoma / Refractory Neuroblastoma / Refractory Non-Hodgkin's lymphoma / Refractory Osteosarcoma / Refractory Rhabdomyosarcoma / Refractory Soft Tissue Sarcomas / Wilms' tumor1
2RecruitingTreatmentLung Cancers / ROS1 Gene Rearrangement1
2RecruitingTreatmentNon-Small Cell Lung Carcinoma (NSCLC)1
2RecruitingTreatmentNon-Small Cell Lung Carcinoma (NSCLC) / Tumors Metastatic to Brain1
2Unknown StatusTreatmentNon-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 Solubility0.00637 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
Not Available

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