Quemliclustat
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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
- Quemliclustat
- DrugBank Accession Number
- DB19160
- Background
Quemliclustat is under investigation in clinical trial NCT05329766 (A Safety and Efficacy Study of Treatment Combinations With and Without Chemotherapy in Adult Participants With Advanced Upper Gastrointestinal Tract Malignancies).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 580.83
Monoisotopic: 580.0691082 - Chemical Formula
- C20H24ClFN4O9P2
- Synonyms
- 1h-pyrazolo(3,4-b)pyridin-4-amine, 6-chloro-n-((1s)-1-(2-fluorophenyl)ethyl)-1-(5-o-(hydroxy(phosphonomethyl)phosphinyl)-.beta.-d-ribofuranosyl)-
- 2-chloro-n6 -((1s)-1-(2-fluorophenyl)ethyl)-8-aza-1,7- dicarbaadenosine 5'-(trihydrogen 2-carbadiphosphate)
- External IDs
- AB-680
- AB680
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism A5'-nucleotidase 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- J6K8WSV73A
- CAS number
- 2105904-82-1
- InChI Key
- MFYLCAMJNGIULC-KCVUFLITSA-N
- InChI
- InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18-,20+/m0/s1
- IUPAC Name
- SMILES
- C[C@H](NC1=C2C=NN([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC(Cl)=C1)C1=CC=CC=C1F
References
- General References
- Not Available
- External Links
- ChemSpider
- 72380189
- BindingDB
- 50527134
- ChEMBL
- CHEMBL4471306
- PDBe Ligand
- QDH
- PDB Entries
- 6z9d
Clinical Trials
- Clinical Trials
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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
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1. Details5'-nucleotidase
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Catalyzes the hydrolysis of nucleotide monophosphates, releasing inorganic phosphate and the corresponding nucleoside, with AMP being the preferred substrate (PubMed:21933152, PubMed:22997138, PubMed:23142347, PubMed:24887587, PubMed:34403084). Shows a preference for ribonucleotide monophosphates over their equivalent deoxyribose forms (PubMed:34403084). Other substrates include IMP, UMP, GMP, CMP, dAMP, dCMP, dTMP, NAD and NMN (PubMed:21933152, PubMed:22997138, PubMed:23142347, PubMed:24887587, PubMed:34403084)
- Specific Function
- 5'-deoxynucleotidase activity
- Gene Name
- NT5E
- Uniprot ID
- P21589
- Uniprot Name
- 5'-nucleotidase
- Molecular Weight
- 63367.255 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 July 05, 2024 18:12 / Updated at August 27, 2024 19:17