NAV

Orelabrutinib

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
3D
Similar Structures
Weight
Average: 427.504
Monoisotopic: 427.189591677
Chemical Formula
C26H25N3O3
Synonyms
  • Orelabrutinib

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
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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
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

General References
Not Available
ChemSpider
82956396
BindingDB
389631

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Not Yet RecruitingTreatmentChronic Primary Immune Thrombocytopenia (ITP)1
3Not Yet RecruitingTreatmentRelapsed/Refractory Marginal Zone Lymphoma1
3RecruitingTreatmentB-Cell Non-Hodgkin Lymphoma (NHL) / Diffuse Large B-Cell Lymphoma (DLBCL) / High Grade B-Cell Lymphoma, Not Otherwise Specified / High-grade B-cell lymphoma, with MYC and BCL2 and/or BCL6 rearrangements / Mantle Cell Lymphoma (MCL)1
3RecruitingTreatmentDiffuse Large B-Cell Lymphoma (DLBCL)2
3RecruitingTreatmentPrimary Central Nervous System Lymphoma1
3RecruitingTreatmentTreatment-naїve Mantle Cell Lymphoma1
2Active Not RecruitingTreatmentRelapsing Remitting Multiple Sclerosis (RRMS)1
2Not Yet RecruitingTreatmentB-Cell Lymphoma1
2Not Yet RecruitingTreatmentBruton's Tyrosine Kinase / Immune Thrombocytopenia (ITP)1
2Not Yet RecruitingTreatmentChronic Lymphocytic Leukemia (CLL)/Small Lymphocytic Lymphoma (SLL)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 Solubility0.00239 mg/mLALOGPS
logP4.09ALOGPS
logP3.74Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)14.18Chemaxon
pKa (Strongest Basic)2.83Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area85.52 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity123.22 m3·mol-1Chemaxon
Polarizability46.22 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

Drug created at December 15, 2020 18:17 / Updated at February 21, 2021 18:55