Momelotinib

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
Momelotinib
Accession Number
DB11763
Type
Small Molecule
Groups
Investigational
Description

Momelotinib has been used in trials studying the treatment of Polycythemia Vera, Primary Myelofibrosis, Post-Polycythemia Vera, Essential Thrombocythemia, and Primary Myelofibrosis (PMF), among others.

Structure
Thumb
Synonyms
Not Available
External IDs
CYT-387 / CYT387
Categories
UNII
6O01GMS00P
CAS number
1056634-68-4
Weight
Average: 414.469
Monoisotopic: 414.180423972
Chemical Formula
C23H22N6O2
InChI Key
ZVHNDZWQTBEVRY-UHFFFAOYSA-N
InChI
InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
IUPAC Name
N-(cyanomethyl)-4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)benzamide
SMILES
O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1

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
25062766
PubChem Substance
347828117
ChemSpider
24676202
BindingDB
50311017
ChEBI
91407
ChEMBL
CHEMBL1078178
HET
C87
Wikipedia
Momelotinib
PDB Entries
6fdz

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentEGFR Mutated EGFR TKI Naive Metastatic NSCLC1
1TerminatedTreatmentRelapsed Metastatic KRAS-Mutated Non-Small Cell Lung Cancer1
1TerminatedTreatmentRelapsed/Refractory Metastatic Pancreatic Ductal Adenocarcinoma1
1, 2CompletedTreatmentPost Essential Thrombocythemia Myelofibrosis / Post Polycythemia Vera Myelofibrosis / Primary Myelofibrosis1
1, 2CompletedTreatmentPost Essential Thrombocythemia Myelofibrosis / Post-Polycythaemia Vera / Primary Myelofibrosis1
2CompletedTreatmentEssential Thrombocythemia (ET) / Polycythemia Vera (PV) / Post Essential Thrombocythemia Myelofibrosis / Post Polycythemia Vera Myelofibrosis / Primary Myelofibrosis1
2CompletedTreatmentPost Essential Thrombocythemia Myelofibrosis / Post Polycythemia Vera Myelofibrosis / Primary Myelofibrosis1
2CompletedTreatmentPost-polycythemia Vera (Post-PV) Myelofibrosis / Postessential Thrombocythemia (Post-ET) Myelofibrosis / Primary Myelofibrosis (PMF)1
2Enrolling by InvitationTreatmentPost-essential Thrombocythemia Myelofibrosis (Post-ET MF) / Post-polycythemia Vera Myelofibrosis (Post-PV MF) / Primary Myelofibrosis (PMF)1
2TerminatedTreatmentEssential Thrombocythemia (ET) / Polycythemia Vera (PV)1
3Active Not RecruitingTreatmentPost Essential Thrombocythemia Myelofibrosis / Post Polycythemia Vera Myelofibrosis / Primary Myelofibrosis1
3Active Not RecruitingTreatmentPost-essential Thrombocythemia Myelofibrosis (Post-ET MF) / Post-polycythemia Vera (Post-PV) / Primary Myelofibrosis (PMF)1
3TerminatedTreatmentMetastatic Pancreatic Ductal Adenocarcinoma1

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 Solubility0.0325 mg/mLALOGPS
logP2.96ALOGPS
logP2.7ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)14.02ChemAxon
pKa (Strongest Basic)2.62ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area103.17 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity118.46 m3·mol-1ChemAxon
Polarizability44.23 Å3ChemAxon
Number of Rings4ChemAxon
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 phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Phenylpyrimidines
Alternative Parents
Phenylmorpholines / Benzamides / Aniline and substituted anilines / Benzoyl derivatives / Dialkylarylamines / Aminopyrimidines and derivatives / Heteroaromatic compounds / Amino acids and derivatives / Secondary carboxylic acid amides / Dialkyl ethers
show 7 more
Substituents
Phenylmorpholine / 4-phenylpyrimidine / 5-phenylpyrimidine / Benzamide / Benzoic acid or derivatives / Benzoyl / Tertiary aliphatic/aromatic amine / Dialkylarylamine / Aniline or substituted anilines / Aminopyrimidine
show 26 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:46 / Updated on June 04, 2019 07:26