This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Orelabrutinib
- DrugBank Accession Number
- DB16272
- Background
Orelabrutinib is under investigation in clinical trial NCT04305197 (A Study of ICP-022 in Patients With Systemic Lupus Erythematosus (SLE)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 427.504
Monoisotopic: 427.189591677 - Chemical Formula
- C26H25N3O3
- Synonyms
- Orelabrutinib
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
- WJA5UO9E10
- CAS number
- 1655504-04-3
- InChI Key
- MZPVEMOYADUARK-UHFFFAOYSA-N
- InChI
- InChI=1S/C26H25N3O3/c1-2-24(30)29-16-14-18(15-17-29)23-13-12-22(26(27)31)25(28-23)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-13,18H,1,14-17H2,(H2,27,31)
- IUPAC Name
- 2-(4-phenoxyphenyl)-6-[1-(prop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide
- SMILES
- NC(=O)C1=CC=C(N=C1C1=CC=C(OC2=CC=CC=C2)C=C1)C1CCN(CC1)C(=O)C=C
References
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Not Yet Recruiting Treatment Diffuse Large B-Cell Lymphoma (DLBCL) 2 3 Not Yet Recruiting Treatment Treatment-naїve Mantle Cell Lymphoma 1 3 Recruiting Treatment B-cell NonHodgkin Lymphoma / Diffuse Large B-Cell Lymphoma (DLBCL) / High Grade B-Cell Lymphoma With MYC and BCL2 and/or BCL6 Rearrangements / High Grade B-Cell Lymphoma, Not Otherwise Specified / Mantle Cell Lymphoma (MCL) 1 3 Recruiting Treatment Primary Central Nervous System Lymphoma (PCNSL) 1 2 Not Yet Recruiting Treatment B Cell Lymphoma (BCL) 1 2 Not Yet Recruiting Treatment Bruton's Tyrosine Kinase / Idiopathic Thrombocytopenic Purpura 1 2 Not Yet Recruiting Treatment Primary Immune Thrombocytopenia (ITP) 1 2 Recruiting Treatment Central Nervous System Lymphoma 1 2 Recruiting Treatment Chronic Lymphocytic Leukemia or Small Lymphocytic Leukemia (CLL or SLL) 1 2 Recruiting Treatment Follicular Lymphoma ( FL) / Relapsed or Refractory Follicular Lymphoma 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 0.00239 mg/mL ALOGPS logP 4.09 ALOGPS logP 3.74 ChemAxon logS -5.2 ALOGPS pKa (Strongest Acidic) 14.18 ChemAxon pKa (Strongest Basic) 2.83 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 85.52 Å2 ChemAxon Rotatable Bond Count 6 ChemAxon Refractivity 123.22 m3·mol-1 ChemAxon Polarizability 46.22 Å3 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at December 15, 2020 18:17 / Updated at February 21, 2021 18:55