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

Identification

Generic Name
Momelotinib
DrugBank Accession Number
DB11763
Background

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.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 414.469
Monoisotopic: 414.180423972
Chemical Formula
C23H22N6O2
Synonyms
  • Momelotinib
External IDs
  • CYT-387
  • CYT387

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
Improve clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
4-phenylpyrimidine / 5-phenylpyrimidine / Amine / Amino acid or derivatives / Aminopyrimidine / Aniline or substituted anilines / Aromatic heteromonocyclic compound / Azacycle / Benzamide / Benzenoid
show 26 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
6O01GMS00P
CAS number
1056634-68-4
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

References

General References
Not Available
PubChem Compound
25062766
PubChem Substance
347828117
ChemSpider
24676202
BindingDB
50311017
ChEBI
91407
ChEMBL
CHEMBL1078178
ZINC
ZINC000043199890
PDBe Ligand
C87
Wikipedia
Momelotinib
PDB Entries
6fdz / 7nns

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentPost Essential Thrombocythaemia Myelofibrosis / Post Polycythemia Vera Myelofibrosis / Primary Myelofibrosis (PMF)1
3CompletedTreatmentPost Essential Thrombocythaemia Myelofibrosis / Post Polycythemia Vera Myelofibrosis / Primary Myelofibrosis (PMF)1
3CompletedTreatmentPost-essential Thrombocythemia Myelofibrosis (Post-ET MF) / Post-polycythemia Vera (Post-PV) / Primary Myelofibrosis (PMF)1
3TerminatedTreatmentMetastatic Pancreatic (Ductal) Adenocarcinoma1
2CompletedTreatmentEssential Thrombocythemia (ET) / Polycythemia Vera (PV) / Post Essential Thrombocythaemia Myelofibrosis / Post Polycythemia Vera Myelofibrosis / Primary Myelofibrosis (PMF)1
2CompletedTreatmentPost Essential Thrombocythaemia Myelofibrosis / Post Polycythemia Vera Myelofibrosis / Primary Myelofibrosis (PMF)1
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
1TerminatedTreatmentEGFR Mutated EGFR TKI Naive Metastatic NSCLC1

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

Drug created at October 20, 2016 20:46 / Updated at February 21, 2021 18:53