NAV

Remibrutinib

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

Identification

Generic Name
Remibrutinib
DrugBank Accession Number
DB16852
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 507.542
Monoisotopic: 507.208196075
Chemical Formula
C27H27F2N5O3
Synonyms
  • Remibrutinib
External IDs
  • LOU064-NXA
  • NVP-LOU064-NXA
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
I7MVZ8HDNU
CAS number
1787294-07-8
InChI Key
CUABMPOJOBCXJI-UHFFFAOYSA-N
InChI
InChI=1S/C27H27F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h4,7-8,11-14,16H,1,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32)
IUPAC Name
N-(3-{6-amino-5-[2-(N-methylprop-2-enamido)ethoxy]pyrimidin-4-yl}-5-fluoro-2-methylphenyl)-4-cyclopropyl-2-fluorobenzamide
SMILES
CN(CCOC1=C(N)N=CN=C1C1=C(C)C(NC(=O)C2=C(F)C=C(C=C2)C2CC2)=CC(F)=C1)C(=O)C=C

References

General References
Not Available
ChemSpider
78317000
BindingDB
259407
ChEMBL
CHEMBL4483575

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentChronic Spontaneous Urticaria3
3CompletedTreatmentChronic Spontaneous Urticaria1
3RecruitingTreatmentChronic Inducible Urticaria1
3RecruitingTreatmentChronic Spontaneous Urticaria3
3RecruitingTreatmentRelapsing Multiple Sclerosis (RMS)2

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 Solubility0.005 mg/mLALOGPS
logP3.67ALOGPS
logP4.36Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)14.17Chemaxon
pKa (Strongest Basic)4.68Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area110.44 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity139.3 m3·mol-1Chemaxon
Polarizability50.37 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/MSsplash10-0zfr-1400950000-e268c2dff4f0918ed0f0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0btl-2309550000-133622f41da326e7e776
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-06u2-2609620000-084742b1ff83ca448c28
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-08g0-1908210000-1b4d1c202f04343cd1e6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-003u-9117500000-2b25cca3aca4329f61fd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-2009400000-7ed5563ef595647a7d9e
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at July 25, 2022 16:56 / Updated at December 01, 2022 11:31