This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
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Identification
- Generic Name
- AZD-4877
- DrugBank Accession Number
- DB11671
- Background
AZD4877 has been used in trials studying the treatment of NHL, Tumors, Cancer, Lymphoma, and Neoplasms, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for AZD-4877 (DB11671)
- Weight
- Average: 503.67
Monoisotopic: 503.235496497 - Chemical Formula
- C28H33N5O2S
- Synonyms
- Not Available
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
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AKinesin-like protein KIF11 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n,n-dialkyl-p-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Toluenes
- Direct Parent
- N,N-dialkyl-p-toluamides
- Alternative Parents
- Benzamides / Benzoyl derivatives / Pyrimidones / Thiazoles / Tertiary carboxylic acid amides / Heteroaromatic compounds / Lactams / Amino acids and derivatives / Azacyclic compounds / Organopnictogen compounds show 4 more
- Substituents
- Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzamide / Benzoic acid or derivatives / Benzoyl / Carboxamide group / Carboxylic acid derivative show 17 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 19ORU63E06
- CAS number
- 1176760-49-8
- InChI Key
- SMFXSYMLJDHGIE-UHFFFAOYSA-N
- InChI
- InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3
- IUPAC Name
- N-(3-aminopropyl)-N-(1-{5-benzyl-3-methyl-4-oxo-4H,5H-[1,2]thiazolo[5,4-d]pyrimidin-6-yl}-2-methylpropyl)-4-methylbenzamide
- SMILES
- CC(C)C(N(CCCN)C(=O)C1=CC=C(C)C=C1)C1=NC2=C(C(C)=NS2)C(=O)N1CC1=CC=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 10368812
- PubChem Substance
- 347828039
- ChemSpider
- 8544260
- BindingDB
- 50353788
- ChEMBL
- CHEMBL1829433
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 Water Solubility 0.00292 mg/mL ALOGPS logP 3.86 ALOGPS logP 4.19 Chemaxon logS -5.2 ALOGPS pKa (Strongest Basic) 9.77 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 91.89 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 146.31 m3·mol-1 Chemaxon Polarizability 55.48 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 208.22386 predictedDeepCCS 1.0 (2019) [M+H]+ 210.61945 predictedDeepCCS 1.0 (2019) [M+Na]+ 216.56885 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Motor protein required for establishing a bipolar spindle and thus contributing to chromosome congression during mitosis (PubMed:19001501, PubMed:37728657). Required in non-mitotic cells for transport of secretory proteins from the Golgi complex to the cell surface (PubMed:23857769)
- Specific Function
- ATP binding
- Gene Name
- KIF11
- Uniprot ID
- P52732
- Uniprot Name
- Kinesin-like protein KIF11
- Molecular Weight
- 119158.025 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 October 20, 2016 20:38 / Updated at August 27, 2024 19:15