This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Tirabrutinib
- DrugBank Accession Number
- DB15227
- Background
Tirabrutinib is under investigation in clinical trial NCT02626026 (Safety and Pharmacokinetics of GS-4059 in Healthy Volunteers and Subjects With Rheumatoid Arthritis (RA)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Tirabrutinib (DB15227)
- Weight
- Average: 454.49
Monoisotopic: 454.175338592 - Chemical Formula
- C25H22N6O3
- Synonyms
- Tirabrutinib
- External IDs
- GS-4059
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- LXG44NDL2T
- CAS number
- 1351636-18-4
- InChI Key
- SEJLPXCPMNSRAM-GOSISDBHSA-N
- InChI
- InChI=1S/C25H22N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28)/t18-/m1/s1
- IUPAC Name
- 6-amino-9-[(3R)-1-(but-2-ynoyl)pyrrolidin-3-yl]-7-(4-phenoxyphenyl)-8,9-dihydro-7H-purin-8-one
- SMILES
- CC#CC(=O)N1CC[C@H](C1)N1C(=O)N(C2=C(N)N=CN=C12)C1=CC=C(OC2=CC=CC=C2)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 58171734
- BindingDB
- 194087
- ChEMBL
- CHEMBL4071161
- ZINC
- ZINC000072318699
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Chronic Lymphocytic Leukemia (CLL) 2 2 Completed Treatment Sjögren's Syndrome 1 2 Recruiting Treatment Relapsed or Refractory Primary Central Nervous System Lymphoma (PCNSL) 1 2 Withdrawn Treatment Chronic Spontaneous Urticaria 1 1 Active Not Recruiting Treatment B Cell Malignancies 1 1 Completed Treatment Chronic Lymphocytic Leukemia (CLL) / Non-Hodgkin's Lymphoma (NHL) 1 1 Completed Treatment Relapsed/Refractory B Cell Malignancies 1 1 Completed Treatment Rheumatoid Arthritis 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 Water Solubility 0.0267 mg/mL ALOGPS logP 1.92 ALOGPS logP 3.27 ChemAxon logS -4.2 ALOGPS pKa (Strongest Acidic) 18.57 ChemAxon pKa (Strongest Basic) 3.33 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 104.89 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 127.73 m3·mol-1 ChemAxon Polarizability 48.25 Å3 ChemAxon Number of Rings 5 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes 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
Drug created at May 20, 2019 15:01 / Updated at February 21, 2021 18:55