NAV

Edralbrutinib

Identification

Generic Name
Edralbrutinib
DrugBank Accession Number
DB18095
Background

Edralbrutinib is an orally available small molecule inhibitor of Bruton's tyrosine kinase.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 489.483
Monoisotopic: 489.161245882
Chemical Formula
C26H21F2N5O3
Synonyms
  • 4-amino-3-(4-(2,6-difluorophenoxy)phenyl)-1,6-dihydro-1-((3r)-1-(1-oxo-2-butyn-1-yl)-3-pyrrolidinyl)-7h-pyrrolo(2,3-d)pyridazin-7-one
  • 7h-pyrrolo(2,3-d)pyridazin-7-one, 4-amino-3-(4-(2,6-difluorophenoxy)phenyl)-1,6-dihydro-1-((3r)-1-(1-oxo-2-butyn-1-yl)-3-pyrrolidinyl)-
  • Edralbrutinib
External IDs
  • SHR-1459
  • SHR1459
  • TG-1701
  • TG1701
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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
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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
SG5I5QTR4E
CAS number
1858206-58-2
InChI Key
DNPOFZXZJJDQLB-MRXNPFEDSA-N
InChI
InChI=1S/C26H21F2N5O3/c1-2-4-21(34)32-12-11-16(13-32)33-14-18(22-23(33)26(35)31-30-25(22)29)15-7-9-17(10-8-15)36-24-19(27)5-3-6-20(24)28/h3,5-10,14,16H,11-13H2,1H3,(H2,29,30)(H,31,35)/t16-/m1/s1
IUPAC Name
4-amino-1-[(3R)-1-(but-2-ynoyl)pyrrolidin-3-yl]-3-[4-(2,6-difluorophenoxy)phenyl]-1H,6H,7H-pyrrolo[2,3-d]pyridazin-7-one
SMILES
CC#CC(=O)N1CC[C@H](C1)N1C=C(C2=C1C(=O)NN=C2N)C1=CC=C(OC2=C(F)C=CC=C2F)C=C1

References

General References
Not Available
ChemSpider
94287367
BindingDB
390081
ChEMBL
CHEMBL4650338

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentPrimary Membranous Nephropathy1
2CompletedTreatmentNeuromyelitis Optica Spectrum Disorders1
2RecruitingTreatmentRecurrent and Refractory B-cell Non-Hodgkin's Lymphoma1
1Active Not RecruitingOtherHealthy Adult Males Volunteers1
1Active Not RecruitingTreatmentChronic Lymphocytic Leukemia / Non-Hodgkin's Lymphoma (NHL)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
logP3.28Chemaxon
pKa (Strongest Acidic)10.71Chemaxon
pKa (Strongest Basic)3.75Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area101.95 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity129.63 m3·mol-1Chemaxon
Polarizability49.22 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 11, 2023 20:33 / Updated at September 12, 2023 18:34