NAV

Vecabrutinib

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Vecabrutinib
DrugBank Accession Number
DB16657
Background

Vecabrutinib is under investigation in clinical trial NCT03037645 (Safety, PK, PD, and Antitumor Activity of Vecabrutinib (SNS-062) in B Lymphoid Cancers).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 529.92
Monoisotopic: 529.1616134
Chemical Formula
C22H24ClF4N7O2
Synonyms
Not Available
External IDs
  • BIIB-062
  • BSK-4841
  • FP-0182
  • FP0182
  • SNS-062
  • WHO 10643
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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
TargetActionsOrganism
UTyrosine-protein kinase BTK
inhibitor
Humans
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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Vecabrutinib succinateUCGZNSAOIG1947403-49-7XGMXOWYNGVEUHA-CLUYDPBTSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
PQ7O0OB5GU
CAS number
1510829-06-7
InChI Key
QLRRJMOBVVGXEJ-XHSDSOJGSA-N
InChI
InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1
IUPAC Name
(3R,3'R,4'S)-1'-(6-amino-5-fluoropyrimidin-4-yl)-3-{[3-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxo-[1,3'-bipiperidine]-4'-carboxamide
SMILES
NC(=O)[C@H]1CCN(C[C@@H]1N1CCC[C@@H](NC2=CC(=CC(Cl)=C2)C(F)(F)F)C1=O)C1=NC=NC(N)=C1F

References

General References
Not Available
ChemSpider
64835225
ChEMBL
CHEMBL4297640

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2TerminatedTreatmentChronic Lymphocytic Leukemia / Diffuse Large B-Cell Lymphoma (DLBCL) / Follicular Lymphoma ( FL) / Mantle Cell Lymphoma (MCL) / Marginal Zone Lymphoma (MZL) / Small Lymphocytic Lymphoma / Waldenström's Macroglobulinemia (WM)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 Solubility0.0896 mg/mLALOGPS
logP2.47ALOGPS
logP2.19Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)14.96Chemaxon
pKa (Strongest Basic)4.97Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area130.47 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity127.86 m3·mol-1Chemaxon
Polarizability47.14 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0000090000-559ceff49600f30ef0f0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-1020090000-798c12e29c6c0f756229
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0000090000-7a71c6f99eda91f7dd29
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-016r-6070940000-3d251614047e0f95164c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0is3-0492250000-b4464cddaaa6b1169535
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9020510000-24557c0a5b2a2af7b1f3
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Targets

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Details1. Tyrosine-protein kinase BTK
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Protein tyrosine kinase activity
Specific Function
Non-receptor tyrosine kinase indispensable for B lymphocyte development, differentiation and signaling. Binding of antigen to the B-cell antigen receptor (BCR) triggers signaling that ultimately le...
Gene Name
BTK
Uniprot ID
Q06187
Uniprot Name
Tyrosine-protein kinase BTK
Molecular Weight
76280.71 Da
References
  1. Bond DA, Woyach JA: Targeting BTK in CLL: Beyond Ibrutinib. Curr Hematol Malig Rep. 2019 Jun;14(3):197-205. doi: 10.1007/s11899-019-00512-0. [Article]
  2. Castillo JJ, Treon SP: Management of Waldenstrom macroglobulinemia in 2020. Hematology Am Soc Hematol Educ Program. 2020 Dec 4;2020(1):372-379. doi: 10.1182/hematology.2020000121. [Article]
  3. Castillo JJ, Treon SP: What is new in the treatment of Waldenstrom macroglobulinemia? Leukemia. 2019 Nov;33(11):2555-2562. doi: 10.1038/s41375-019-0592-8. Epub 2019 Oct 7. [Article]

Drug created at March 24, 2021 23:17 / Updated at October 07, 2021 12:09