Evobrutinib

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
Evobrutinib
Accession Number
DB15170
Type
Small Molecule
Groups
Investigational
Description

Evobrutinib is under investigation in clinical trial NCT03934502 (Effect of Meal Composition and Timing on Evobrutinib Bioavailability).

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
ZA45457L1K
CAS number
1415823-73-2
Weight
Average: 429.524
Monoisotopic: 429.216475129
Chemical Formula
C25H27N5O2
InChI Key
QUIWHXQETADMGN-UHFFFAOYSA-N
InChI
InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)
IUPAC Name
1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one
SMILES
NC1=NC=NC(NCC2CCN(CC2)C(=O)C=C)=C1C1=CC=C(OC2=CC=CC=C2)C=C1

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
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

References

General References
Not Available
External Links
ChemSpider
58827807
BindingDB
291522
ChEMBL
CHEMBL4072833
HET
MZJ
PDB Entries
6omu

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedOtherHealthy Volunteers3
1CompletedOtherImpaired kidney function1
1CompletedTreatmentSystemic Lupus Erythematosus (SLE)1
2Active Not RecruitingTreatmentRelapsing Remitting Multiple Sclerosis (RRMS)1
2Active Not RecruitingTreatmentSystemic Lupus Erythematosus (SLE)1
2CompletedTreatmentRheumatoid Arthritis2
3Not Yet RecruitingTreatmentRelapsing Remitting Multiple Sclerosis (RRMS)1
3RecruitingTreatmentRelapsing Remitting Multiple Sclerosis (RRMS)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 Solubility0.0153 mg/mLALOGPS
logP3.94ALOGPS
logP3.5ChemAxon
logS-4.4ALOGPS
pKa (Strongest Basic)7.16ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area93.37 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity128.81 m3·mol-1ChemAxon
Polarizability45.68 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
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 08:55 / Updated on February 02, 2020 03:20