Nemtabrutinib
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Nemtabrutinib
- DrugBank Accession Number
- DB18866
- Background
Nemtabrutinib is under investigation in clinical trial NCT05624554 (A Study of Nemtabrutinib vs Chemoimmunotherapy for Participants With Previously Untreated Chronic Lymphocytic Leukemia/small Lymphocytic Lymphoma (CLL/SLL) Without TP53 Aberrations (MK-1026-008, BELLWAVE-008)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 478.93
Monoisotopic: 478.1407829 - Chemical Formula
- C25H23ClN4O4
- Synonyms
- (2-chloro-4-phenoxyphenyl)(4-(((3r,6s)-6-(hydroxymethyl)tetrahydro-2h-pyran-3-yl)amino)-7h-pyrrolo(2,3-d)pyrimidin-5-yl)methanone
- 1,5-Anhydro-2-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2,3,4-trideoxy-D-erythro-hexitol
- D-erythro-hexitol, 1,5-anhydro-2-((5-(2-chloro-4-phenoxybenzoyl)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)amino)-2,3,4-trideoxy-
- External IDs
- ARQ-531
- MK-1026
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
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism ATyrosine-protein kinase BTK inhibitorHumans - 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
- JTZ51LIXN4
- CAS number
- 2095393-15-8
- InChI Key
- JSFCZQSJQXFJDS-QAPCUYQASA-N
- InChI
- InChI=1S/C25H23ClN4O4/c26-21-10-17(34-16-4-2-1-3-5-16)8-9-19(21)23(32)20-11-27-24-22(20)25(29-14-28-24)30-15-6-7-18(12-31)33-13-15/h1-5,8-11,14-15,18,31H,6-7,12-13H2,(H2,27,28,29,30)/t15-,18+/m1/s1
- IUPAC Name
- SMILES
- OC[C@@H]1CC[C@H](CO1)NC1=C2C(NC=C2C(=O)C2=CC=C(OC3=CC=CC=C3)C=C2Cl)=NC=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 64854483
- ChEMBL
- CHEMBL4756476
- PDBe Ligand
- HRA
- Wikipedia
- Nemtabrutinib
- PDB Entries
- 6e4f
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data3 Recruiting Treatment B-Cell Chronic Lymphocytic Leukemia / Chronic Lymphocytic Leukaemia (CLL) / Chronic Lymphocytic Leukemia / Lymphoma, Small-Cell / Small Lymphocytic Lymphoma 1 somestatus stop reason just information to hide 3 Recruiting Treatment Chronic Lymphocytic Leukemia / Small Lymphocytic Lymphoma 2 somestatus stop reason just information to hide 2 Not Yet Recruiting Treatment Mantle Cell Lymphoma (MCL) 1 somestatus stop reason just information to hide 2 Recruiting Treatment Chronic Lymphocytic Leukaemia (CLL) / Hematological Malignancy / Non-Hodgkin's Lymphoma (NHL) / Waldenström's Macroglobulinemia (WM) 1 somestatus stop reason just information to hide 2 Recruiting Treatment Chronic Lymphocytic Leukemia / Follicular Lymphoma ( FL) / Mantle Cell Lymphoma (MCL) / Richter Transformation Lymphoma 1 somestatus stop reason just information to hide
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 - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
Build, predict & validate machine-learning models
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1. DetailsTyrosine-protein kinase BTK
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Non-receptor tyrosine kinase indispensable for B lymphocyte development, differentiation and signaling (PubMed:19290921). Binding of antigen to the B-cell antigen receptor (BCR) triggers signaling that ultimately leads to B-cell activation (PubMed:19290921). After BCR engagement and activation at the plasma membrane, phosphorylates PLCG2 at several sites, igniting the downstream signaling pathway through calcium mobilization, followed by activation of the protein kinase C (PKC) family members (PubMed:11606584). PLCG2 phosphorylation is performed in close cooperation with the adapter protein B-cell linker protein BLNK (PubMed:11606584). BTK acts as a platform to bring together a diverse array of signaling proteins and is implicated in cytokine receptor signaling pathways (PubMed:16517732, PubMed:17932028). Plays an important role in the function of immune cells of innate as well as adaptive immunity, as a component of the Toll-like receptors (TLR) pathway (PubMed:16517732). The TLR pathway acts as a primary surveillance system for the detection of pathogens and are crucial to the activation of host defense (PubMed:16517732). Especially, is a critical molecule in regulating TLR9 activation in splenic B-cells (PubMed:16517732, PubMed:17932028). Within the TLR pathway, induces tyrosine phosphorylation of TIRAP which leads to TIRAP degradation (PubMed:16415872). BTK also plays a critical role in transcription regulation (PubMed:19290921). Induces the activity of NF-kappa-B, which is involved in regulating the expression of hundreds of genes (PubMed:19290921). BTK is involved on the signaling pathway linking TLR8 and TLR9 to NF-kappa-B (PubMed:19290921). Acts as an activator of NLRP3 inflammasome assembly by mediating phosphorylation of NLRP3 (PubMed:34554188). Transiently phosphorylates transcription factor GTF2I on tyrosine residues in response to BCR (PubMed:9012831). GTF2I then translocates to the nucleus to bind regulatory enhancer elements to modulate gene expression (PubMed:9012831). ARID3A and NFAT are other transcriptional target of BTK (PubMed:16738337). BTK is required for the formation of functional ARID3A DNA-binding complexes (PubMed:16738337). There is however no evidence that BTK itself binds directly to DNA (PubMed:16738337). BTK has a dual role in the regulation of apoptosis (PubMed:9751072)
- Specific Function
- ATP binding
- Gene Name
- BTK
- Uniprot ID
- Q06187
- Uniprot Name
- Tyrosine-protein kinase BTK
- Molecular Weight
- 76280.71 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at June 26, 2024 20:30 / Updated at August 27, 2024 19:17