Edralbrutinib
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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
- 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
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 94287367
- BindingDB
- 390081
- ChEMBL
- CHEMBL4650338
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Primary Membranous Nephropathy 1 2 Completed Treatment Neuromyelitis Optica Spectrum Disorders 1 2 Recruiting Treatment Recurrent and Refractory B-cell Non-Hodgkin's Lymphoma 1 1 Active Not Recruiting Other Healthy Adult Males Volunteers 1 1 Active Not Recruiting Treatment Chronic 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
Property Value Source logP 3.28 Chemaxon pKa (Strongest Acidic) 10.71 Chemaxon pKa (Strongest Basic) 3.75 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 101.95 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 129.63 m3·mol-1 Chemaxon Polarizability 49.22 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - 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